EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

butyl benzoate
benzoic acid, butyl ester

Sponsors

Name:butyl benzoate
CAS Number: 136-60-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-252-7
FDA UNII:1TGZ0D0O8I
Nikkaji Web:J2.019B
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 (works with chrome or firefox)
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
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:09.779 (Old)
DG SANTE Food Flavourings:09.779 butyl benzoate
DG SANTE Food Contact Materials: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.
 
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
Soluble in:
 alcohol
 water, 59 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
amber balsamic fruity
Odor Description:at 100.00 %. mild amber balsam fruity
Odor and/or flavor descriptions from others (if found).
Ernesto Ventós
BUTYL BENZOATE
Odor Description:FLORAL, BALSAMIC
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: masking agents
preservatives
 
Suppliers:
Bell Flavors & Fragrances
Butyl Benzoate
BOC Sciences
For experimental / research use only.
Butyl Benzoate
EMD Millipore
For experimental / research use only.
Butyl Benzoate
Ernesto Ventós
BUTYL BENZOATE
Odor: FLORAL, BALSAMIC
Global Essence
Butyl Benzoate
Inoue Perfumery
BUTYL BENZOATE
Lluch Essence
BUTYL BENZOATE 98%
Odor: FRUITY, BALSAMIC, HERBACEOUS
M&U International
NAT. BUTYL BENZOATE
Penta International
BUTYL BENZOATE
Santa Cruz Biotechnology
For experimental / research use only.
Butyl Benzoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Butyl Benzoate 99%
Synerzine
Butyl Benzoate
TCI AMERICA
For experimental / research use only.
Butyl Benzoate >99.0%(GC)
Treatt
Butyl Benzoate
Ungerer & Company
Butyl Benzoate 98+%
 
Safety Information:
Preferred SDS: View
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
 
Safety in Use Information:
Category: flavor and fragrance agents
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.
 
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
 
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
 
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
View page or View 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)
View page or View 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
View page or View pdf

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View 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)
View page or View 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
View page or View 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
View page or View 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
View page or View pdf

EPI System: View
NLM Hazardous Substances Data Bank:Search
EPA Substance Registry Services (TSCA):136-60-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8698
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butyl benzoate
Chemidplus:0000136607
RTECS:DG4925000 for cas# 136-60-7
 
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:View
 
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
CHEMBL:View
KEGG (GenomeNet):C14709
HMDB (The Human Metabolome Database):Search
FooDB:FDB008741
Export Tariff Code:2916.30
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Formulations/Preparations:
•grades: technical. •it shows a purity of not less than 98%.
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
amber
4-
allyl-1,4-dimethyl bicyclo(3.2.1)octan-3-one
FR
cistus ladaniferus resinoid
FR
animal
para-
cresyl caprylate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
amyl cinnamate
FL/FR
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl cinnamate
FL/FR
benzyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
geranyl cinnamate
FR
tolu balsam
FL/FR
buttery
acetoin
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
iso
butyl phenyl acetate
FL/FR
floral
amyl benzoate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
iso
butyl salicylate
FL/FR
dimethyl benzyl carbinol
FL/FR
floral pyranol
FR
heliotropyl acetone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
mossy
veramoss (IFF)
FR
musk
ethylene dodecanoate
FR
juniper lactone
FL/FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
phenolic
methyl benzoate
FL/FR
powdery
para-
anisyl alcohol
FL/FR
soapy
ambrettolide
FL/FR
spicy
iso
eugenyl acetate
FL/FR
terpenic
frankincense oil
FL/FR
tonka
tonka bean absolute
FR
waxy
ethyl laurate
FL/FR
woody
guaiacwood oil
FL/FR
patchouli ethanone
FR
patchouli oil
FL/FR
santall
FR
vetiver oil CO2 extract
FL/FR
woody acetate
FR
For Flavor
No flavor group found for these
amyl benzoate
FL/FR
animal
animal
para-
cresyl caprylate
FL/FR
balsamic
amyl cinnamate
FL/FR
siam
benzoin resinoid
FL/FR
benzyl salicylate
FL/FR
styrax gum (liquidambar styraciflua)
FL
tolu balsam
FL/FR
berry
heliotropyl acetone
FL/FR
cocoa
iso
butyl phenyl acetate
FL/FR
cooling
iso
butyl salicylate
FL/FR
creamy
acetoin
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
fruity
iso
amyl benzoate
FL/FR
para-
anisyl alcohol
FL/FR
green
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
musk
juniper lactone
FL/FR
orris
costus root oil
FL
phenolic
methyl benzoate
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
soapy
ambrettolide
FL/FR
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
benzyl cinnamate
FL/FR
iso
eugenyl acetate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
ethyl laurate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
woody
amyris wood oil
FL/FR
frankincense oil
FL/FR
guaiacwood oil
FL/FR
patchouli oil
FL/FR
vetiver oil CO2 extract
FL/FR
 
Potential Uses:
FRacacia
FRamber
 ambrosia
FRbalsam
FRbanana
FL/FRcaraway seed
FRcarnation
FRcherry
FRclover
FReglantine
 exotic
FRfern
 fixer
FRfloral
 foliage
FRgeranium
FRincense
FRjasmin
 lily tiger lily
FRlotus
FLnut
FRorange blossom
FRorchid
FRpapaya
FRpineapple
FRplum
FRprune
FRrose
FRstrawberry
FRsweet pea
FLtropical
FRtuberose
 
Occurrence (nature, food, other):note
 champaca concrete @ trace%
Data GC Search Trop Picture
 galangal lesser galangal - 200 mg/kg
Search Trop Picture
 galangal root oil @ 0.02%
Data GC Search Trop Picture
 jasmin absolute china @ 0.10%
Data GC Search Trop Picture
 papaya fruit - up to 0.05 mg/kg
Search Trop Picture
 plum hog plum - 2 mg/kg
Search PMC Picture
 strawberry wild strawberry fruit
Search Trop Picture
 witch hazel leaf oil @ trace%
Data GC Search Trop Picture
 ylang ylang oil @ 0.08%
Data GC Search Trop Picture
 
Synonyms:
 anthrapole AZ
 benzoic acid butyl ester
 benzoic acid N-butyl ester
 benzoic acid, butyl ester
N-butyl benzoate
N-butylbenzoate
 dai cari XBN
 

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].
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy