butyl benzoate
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
      Email: Info
      Voice: 34 93 379 38 49
      Fax: 34 93 370 65 04
      Product(s):
      BUTYL BENZOATE 98%
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      02-52800 BUTYL BENZOATE
       
  • SAFC Global
    • SAFC
      Complete Supply Chain
      The perfect blend of products and services that bring your creativity to life.
      Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
      Email: Information
      US Email: Sales
      US Voice: 800-244-1173
      US Fax: 800-368-4661
      Product(s):
      W515000 Butyl benzoate ≥98%, Kosher
      MSDS
       
  • Treatt
    • Treatt PLC
      Full Range of Naturals
      World-leading, independent ingredients supplier to the flavour and fragrance industries.
      We are proud of our heritage in trading essential oils. Our founder Richard Court Treatt's charismatic and personable approach still embodies the spirit of Treatt today.
      Email: Enquiries
      US Email: Enquiries
      Voice: +44 (0) 1284 702500
      Fax: +44 (0) 1284 703809
      US Voice: +1 863 668 9500
      US Fax: +1 863 668 3388
      Product(s):
      Butyl Benzoate
       
  • Ernesto Ventós
 
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butyl benzoate (Click)
CAS Number: 136-60-7
ECHA EC Number: 205-252-7
FDA UNII: 1TGZ0D0O8I
Beilstein Number: 1867073
MDL: MFCD00009439
CoE Number: 740
XlogP3: 3.80 (est)
Molecular Weight: 178.23098000
Formula: C11 H14 O2
BioActivity Summary: listing
NMR Predictor: Predict
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 09.779 (Old)
EU SANCO Food Flavourings: 09.779  butyl benzoate

FDA Mainterm: Butyl benzoate
FDA Regulation:
FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.00300 to 1.00900 @  25.00 °C.
Pounds per Gallon - (est).: 8.346 to  8.396
Refractive Index: 1.49500 to 1.49900 @  20.00 °C.
Melting Point: -22.00 to  -21.00 °C. @ 760.00 mm Hg
Boiling Point: 127.00 °C. @ 20.00 mm Hg
Boiling Point: 249.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.022000 mm/Hg @ 25.00 °C. (est)
Vapor Density: 6.1 ( Air = 1 )
Flash Point: 223.00 °F. TCC ( 106.11 °C. )
logP (o/w): 3.840
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Organoleptic Properties:
Odor Type: balsamic
Odor Strength: medium
Odor Description:
at 100.00 %. 
mild amber balsam fruity
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: masking agents
preservatives
Synonyms   Articles   Notes   Search   Top
Suppliers:
Bell Flavors & Fragrances
Butyl Benzoate
CTC Organics
butyl benzoate
Ernesto Ventós
BUTYL BENZOATE
Odor: FLORAL, BALSAMIC
Frutarom
butyl benzoate
Global Essence
Butyl Benzoate
Inoue Perfumery
BUTYL BENZOATE
Lluch Essence
BUTYL BENZOATE 98%
Odor: FRUITY, BALSAMIC, HERBACEOUS
Penta International
BUTYL BENZOATE
Pfaltz & Bauer
Butyl Benzoate
For experimental / research use only.
SAFC Global
Butyl benzoate
≥98%, Kosher
Santa Cruz Biotechnology
Butyl Benzoate
For experimental / research use only.
Sigma-Aldrich: Aldrich
Butyl Benzoate 99%
For experimental / research use only.
TCI AMERICA
Butyl Benzoate >99.0%(GC)
For experimental / research use only.
Treatt
Butyl Benzoate
Ungerer & Company
Butyl Benzoate 98+%
Unitex Chemical Corporation
Butyl Benzoate
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
  gavage-mouse LD50  [sex: M,F] 3450 mg/kg
(Bier, 1979)

gavage-rat LD50  [sex: M,F] 5140 mg/kg
Dose range-finding study.
(Smyth et al., 1954)

oral-mouse LD50  3450 mg/kg
GASTROINTESTINAL: OTHER CHANGES BLOOD: HEMORRHAGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0539230

oral-rat LD50  735 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 7, 1975.

Dermal Toxicity:
  skin-rabbit LD50 4000 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 7, 1975.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.70 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
limits in the finished product for - "leave on the skin contact":
  0.5000 % Recommendation.
limits in the finished product for - "wash off the skin contact":
  0.5000 % Recommendation.
limits in the finished product for - "no skin contact":
  6.0000 % Recommendation.
Recommendation for butyl benzoate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
page or pdf
Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
page or pdf
Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
page or pdf
Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
page or pdf
Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
page or pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
page or pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
page or pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
page or pdf
EPI System: View
Chemicalize.org: Calculate predicted properties
NLM Hazardous Substances Data Bank: Search
EPA Substance Registry Services (TSCA): 136-60-7
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 butyl benzoate
DTP/NCI: 8474
Chemidplus: 0000136607
RTECS: DG4925000 for cas# 136-60-7
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References:
 butyl benzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 136-60-7
Pubchem (cid): 8698
Pubchem (sid): 134973212
Flavornet: 136-60-7
Pherobase Floral: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
Export Tariff Code: 2916.30
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Formulations/Preparations:
•grades: technical. •it shows a purity of not less than 98%.
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Potential Blenders and core components note
 acetoinFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
para-anisyl alcoholFL/FR
siam benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
isobutyl salicylateFL/FR
 cinnamyl alcoholFL/FR
 costus root oilFL
para-cresyl caprylateFL/FR
 dimethyl benzyl carbinolFL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
 ethyl laurateFL/FR
isoeugenyl acetateFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 guaiacwood oilFL/FR
 heliotropyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 labdanum resinoidFR
 methyl benzoateFL/FR
beta-naphthyl ethyl etherFL/FR
 ocean propanalFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 phenethyl alcoholFL/FR
 santallFR
 tonka bean absoluteFR
 veramossFR
 woody acetateFR
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 acacia cassie farnesianaFR
 amberFR
 ambrosia 
 balsamFR
 bananaFR
 carawayFL/FR
 carnation dianthus oeilletFR
 cherryFR
 clover trefle le'trefle incarnatFR
 eglantine sweet briarFR
 exotic 
 fern fougereFR
 fixer 
 floralFR
 foliage 
 geraniumFR
 incenseFR
 jasminFR
 lily tiger lily 
 lotusFR
 nutFL
 orange blossomFR
 orchidFR
 papayaFR
 pineappleFR
 plumFR
 pruneFR
 roseFR
 strawberryFR
 sweet peaFR
 tropicalFL
 tuberoseFR
Synonyms   Articles   Notes   Search   Top
Natural Occurrence in: note
 champaca concrete @ trace%
Data  GC  GRIN Trop Picture
 galanga - 200 mg/kg
GRIN Trop Picture
 galangal root oil @ 0.02%
Data  GC  GRIN Trop Picture
 jasmin absolute china @ 0.10%
Data  GC  GRIN Trop Picture
 papaya - up to 0.05 mg/kg
 plum hog plum - 2 mg/kg
 strawberry
GRIN Trop Picture
 witch hazel leaf oil @ trace%
Data  GC  GRIN Trop Picture
 ylang ylang oil @ 0.08%
Data  GC  GRIN Trop Picture
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Synonyms:
 anthrapole AZ
 benzoic acid butyl ester
 benzoic acid N-butyl ester
 benzoic acid, butyl ester
N-butyl benzoate
N-butylbenzoate
 dai cari XBN
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Articles:
PubMed: Development studies on determination of preservatives decomposition products.
J-Stage: A Novel Alkaline Esterase from Sporosarcina sp. nov. Strain eSP04 Catalyzing the Hydrolysis of a Wide Variety of Aryl-carboxylic Acid Esters
PubMed: γ-secretase inhibitor DAPT sensitizes t-AUCB-induced apoptosis of human glioblastoma cells in vitro via blocking the p38 MAPK/MAPKAPK2/Hsp27 pathway.
PubMed: Co-metabolic biodegradation of DBP by Paenibacillus sp. S-3 and H-2.
PubMed: Concentrations and composition profiles of parabens in currency bills and paper products including sanitary wipes.
PubMed: [Study on chemical composition of ethylacetate fraction from Polygonum amplexicaule var. sinense].
PubMed: Antioxidative and melanogenesis-inhibitory activities of caffeoylquinic acids and other compounds from moxa.
PubMed: Rapid determination of parabens in personal care products by stable isotope GC-MS/MS with dynamic selected reaction monitoring.
PubMed: 3,5-Dimethoxy-4-(3-(2-carbonyl-ethyldisulfanyl)-propionyl)-benzoic acid 4-guanidino-butyl ester: a novel twin drug that prevents primary cardiac myocytes from hypoxia-induced apoptosis.
PubMed: Synthesis and cytotoxicity of some D-mannose click conjugates with aminobenzoic acid derivatives.
PubMed: Effects of parabens on adipocyte differentiation.
PubMed: 2-Oxo-2H-chromen-4-yl 4-tert-butyl-benzoate.
PubMed: Leonurine-cysteine analog conjugates as a new class of multifunctional anti-myocardial ischemia agent.
PubMed: Martin-Synge algorithm for the solution of equilibrium-dispersive model of liquid chromatography.
PubMed: Synthesis and biological evaluation of novel leonurine-SPRC conjugate as cardioprotective agents.
PubMed: Prior exposure to organophosphorus and organochlorine pesticides increases the allergic potential of environmental chemical allergens in a local lymph node assay.
PubMed: SPME and GC-MS analysis of triethylene glycol dimethacrylate released from dental composite.
PubMed: Pharmacokinetic optimization of four soluble epoxide hydrolase inhibitors for use in a murine model of inflammation.
PubMed: A route to 1,4-disubstituted aromatics and its application to the synthesis of the antibiotic culpin.
PubMed: Construction of simplified models to simulate estrogenic disruptions by esters of 4-hydroxy benzoic acid (parabens).
PubMed: Eco-friendly methodologies for the synthesis of some aromatic esters, well-known cosmetic ingredients.
PubMed: Occurrence and degradation characteristics of dibutyl phthalate (DBP) and di-(2-ethylhexyl) phthalate (DEHP) in typical agricultural soils of China.
PubMed: Combining esters of para-hydroxy benzoic acid (parabens) to achieve increased antimicrobial activity.
PubMed: [Simultaneous determination of nine kinds of preservatives in foods by HPLC].
PubMed: Monitoring of BHT-quinone and BHT-CHO in the gas of capsules of Asclepias physocarpa.
PubMed: Activity-guided isolation of an antiandrogenic compound of Pygeum africanum.
PubMed: Synthesis and biodistribution of (11)C-GW7845, a positron-emitting agonist for peroxisome proliferator-activated receptor-{gamma}.
PubMed: 4-Alkyliden-beta-lactams conjugated to polyphenols: synthesis and inhibitory activity.
PubMed: Determination of preservatives in cosmetics and food samples by micellar liquid chromatography.
PubMed: Nitric oxide donating nonsteroidal anti-inflammatory drugs induce apoptosis in human prostate cancer cell systems and human prostatic stroma via caspase-3.
PubMed: Preparation, properties, reactions, and adenosine receptor affinities of sulfophenylxanthine nitrophenyl esters: toward the development of sulfonic acid prodrugs with peroral bioavailability.
PubMed: [Evaluation of interaction between drugs and ordered phospholipid membrane by immobilized artificial membrane chromatography].
PubMed: Novel cell-permeable acyloxymethylketone inhibitors of asparaginyl endopeptidase.
PubMed: Purification and properties of an esterase from Aspergillus nomius HS-1 degrading ethylene glycol dibenzoate.
PubMed: Influence of the particle porosity on chromatographic band profiles.
PubMed: Field comparison of impingers and treated filters for sampling of total aliphatic isocyanates with the MAP reagent.
PubMed: Comparison of the adsorption equilibrium of a few low-molecular mass compounds on a monolithic and a packed column in reversed-phase liquid chromatography.
PubMed: Studies on the toxicity and efficacy of some ester analogues of dapsone in vitro using rat and human tissues.
PubMed: Simultaneous determination of preservatives in beverages, vinegar, aqueous sauces, and quasi-drug drinks by stir-bar sorptive extraction (SBSE) and thermal desorption GC-MS.
PubMed: Mechanism of Amine-Catalyzed Ester Formation from an Acid Chloride and Alcohol.
PubMed: [Studies on retinoids. IV. Design, synthesis and structure-activity relationships of di-t-butylphenyl compounds].
PubMed: Nitrosylhemoglobin, an unequivocal index of nitric oxide release from nitroaspirin: in vitro and in vivo studies in the rat by ESR spectroscopy.
PubMed: 5-[4-(3,3-Dimethylbutoxycarbonyl)phenyl]-4-pentynoic acid and its derivatives inhibit ionotropic gamma-aminobutyric acid receptors by binding to the 4'-ethynyl-4-n-propylbicycloorthobenzoate site.
PubMed: Antagonism of 5-hydroxytryptamine(4) receptors attenuates hyperactivity induced by cocaine: putative role for 5-hydroxytryptamine(4) receptors in the nucleus accumbens shell.
PubMed: Gas chromatographic flow method for the preconcentration and simultaneous determination of antioxidant and preservative additives in fatty foods.
PubMed: Reduction of Escherichia coli O157:H7 populations in soy sauce, a fermented seasoning.
PubMed: Hydrolysis of parabenes by extracts from differing layers of human skin.
PubMed: Increased defaecation caused by 5-HT4 receptor activation in the mouse.
PubMed: Novel 5-HT2-like receptor mediates neurogenic relaxation of the guinea-pig proximal colon.
PubMed: Comparative metabolism of deltamethrin and 3-phenoxybenzoic acid in chickens.
PubMed: Evaluation of phototoxic properties of some food additives: sulfites exhibit prominent phototoxicity.
PubMed: Synthesis and biological activity of the 2-desamino and 2-desamino-2-methyl analogues of aminopterin and methotrexate.
PubMed: Simultaneous determination of the nine food additives using high-performance liquid chromatography.
PubMed: Macro- and microscopic alterations in 2 rabbit skin regions following topically repeated applications of benzoic acid n-alkyl esters.
PubMed: Short-term effects of various phenols and acids on the Fischer 344 male rat forestomach epithelium.
PubMed: Studies on the analysis of food additives by high-performance liquid chromatography. V. Simultaneous determination of preservatives and saccharin in foods by ion-pair chromatography.
PubMed: [Antibacterial activity of quinoline derivatives. III. Comparison the in vitro antibacterial activity between n-butyl ester isomers of various benzoic acid substitutes and various quinoline carboxylic acids].
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click on the picture(s) below to
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Picture of molecule
Soluble in:
 alcohol
 water, 59 mg/L @ 25 °C (exp)
Insoluble in:
 water
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