heptyl butyrate
  • Advanced Biotech
  • Alfrebro
    • Alfrebro LLC
      Let's get reacquainted
      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
      Email: Sarah Forbis
      Email: Sales
      Voice: 513-539-3021
      Fax: 513-539-7372
      US Voice: 513-539-7373
      Product(s):
      n-HEPTYL BUTYRATE NATURAL
       
  • Apiscent Labs
    • Apiscent Labs, LLC
      Delivery of Quality
      Custom manufacturer and international supplier of fine ingredients.
      We believe inspired chemistry enriches lives. That's why our team is guided by a mission to provide fine ingredients to the worldwide pharmaceutical, flavor and fragrance markets with a primary focus on the manufacturing of value-added, research-based molecules. We're innovative problem solvers committed to excellence at every phase. Our work builds the foundation for our clients' continued success.
      Email: Info
      Email: Carl Sheeley
      Email: Customer Service
      Voice: +1 (414) 744 3993
      Fax: +1 (414) 744 7111
      Product(s):
      HEPTYL BUTYRATE
       
  • 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):
      HEPTYL BUTYRATE
       
  • 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):
      08-13600 HEPTYL-n-BUTYRATE, Kosher
      08-13601 HETYL BUTYRATE, NATURAL, Kosher
       
  • 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):
      W254908 Heptyl butyrate ≥98%, Kosher
      MSDS
       
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
      Email: Info
      Email: Sales
      Voice: +44 (0) 1284 704076
      Fax: +44 (0) 1284 760819
      Product(s):
      HEPTYL BUTYRATE
       
  • Vigon International
    • Vigon International, Inc.
      The Yipppeee! Team
      Manufacturer and supplier of high quality flavor and fragrance ingredients.
      The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities.
      US Email: Sales
      US Voice: 570-476-6300
      US Fax: 570-476-1110
      Products List: View
      Product(s):
      501799 Heptyl Butyrate
      MSDS
       
 
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heptyl butanoate (Click)
CAS Number: 5870-93-9
ECHA EC Number: 227-526-5
FDA UNII: 6YF38H29F1
Beilstein Number: 1760253
MDL: MFCD00048908
FEMA Number: 2549
CoE Number: 504
XlogP3: 3.80 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
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
JECFA Food Flavoring: 154  heptyl butyrate
Flavis Number: 09.166 (Old)
EU SANCO Food Flavourings: 09.166  heptyl butyrate

FEMA Number: 2549  heptyl butyrate
FDA Mainterm: HEPTYL BUTYRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86400 @  25.00 °C.
Melting Point: -58.00 to  -57.00 °C. @ 760.00 mm Hg
Boiling Point: 225.00 to  226.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 0.090000 mm/Hg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 4.352 (est)
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
Odor Description:
at 100.00 %. 
fruity tropical chamomile green tea sweet floral clean
Luebke, William tgsc, (2009)
Odor sample from: Apiscent Labs, LLC
Substantivity: 6 hour(s) at 100.00 %
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Advanced Biotech
HEPTYL BUTYRATE NATURAL
98% min.
Odor: Acrid, Anise, Chamomile
Alfrebro
n-HEPTYL BUTYRATE NATURAL
Odor: Fruity, chamomile, sweet green tea
Apiscent Labs
HEPTYL BUTYRATE
Odor: Fruity, winey odor, somewhat honey-like
CTC Organics
n-heptyl butyrate
Grau Aromatics
HEPTYL-BUTYRATE
NI, Kosher
Inoue Perfumery
HEPTYL BUTYRATE
Lluch Essence
HEPTYL BUTYRATE
Mane
heptyl butyrate
Penta International
HEPTYL-n-BUTYRATE, Kosher
Penta International
HETYL BUTYRATE, NATURAL, Kosher
Reincke & Fichtner
Heptyl Butyrate
SAFC Global
Heptyl butyrate
≥98%, Kosher
Odor: green; sweet
SRS Aromatics
HEPTYL BUTYRATE
Vigon International
Heptyl Butyrate
Odor: SWEET-GREEN, SLIGHTLY TEA-LIKE
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Safety Information:
European information :
Most important hazard(s):
None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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:
  oral-rat LD50  5000 mg/kg
(Moreno, 1982)

oral-rat LDLo  5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 333, 1988.

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 333, 1988.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.00 (μg/capita/day)
Recommendation for heptyl butyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
Recommendation for heptyl butyrate flavor usage levels up to:
  3.0000 ppm in the finished product.
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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):
Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (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
EPI System: View
Chemicalize.org: Calculate predicted properties
EPA Substance Registry Services (TSCA): 5870-93-9
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 heptyl butanoate
Chemidplus: 0005870939
RTECS: EK7876000 for cas# 5870-93-9
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References:
 heptyl butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5870-93-9
Pubchem (cid): 62592
Pubchem (sid): 135021155
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
FDA Everything Added to Food in the United States (EAFUS): View
Export Tariff Code: 2915.60.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl angelateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
sweet basil oleoresinFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 chamomile isobutyrateFR
 chamomile octenoneFR
 chamomile propionateFR
 chamomile valerateFR
 cherry pentenoateFL/FR
 citronellyl isovalerateFL/FR
(-)-cubenolFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E)-2-octenoateFL
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 furfuryl propionateFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
 herbal acetalFR
2-hexenalFL
(E)-2-hexenal diethyl acetalFL
2-hexenal diethyl acetalFL
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl octanoateFL/FR
 levisticum officinale root absoluteFL/FR
 levisticum officinale root oilFL/FR
 manzanateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-undecynoateFL
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL/FR
(E)-2-methyl-2-octenalFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
 pineapple pentenoateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 verdoxanFR
 tropical indeneFR
 tropical thiazoleFL/FR
 violet dienyneFR
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Potential Uses:
 apricotFR
 chamomileFR
 cherryFR
 greenFR
 plumFR
 tea greenFR
 tropicalFL
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Natural Occurrence in: note
 apple
 barbaco fruit
 beef cooked beef
 carica pentagona fruit
GRIN Trop Picture
 heracleum paphlagonicum czeczott fruit oil turkey @ <0.10%
Data  GC  GRIN Trop Picture
 plum
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Synonyms:
 butanoic acid heptyl ester
 butanoic acid, heptyl ester
 butyric acid heptyl ester
 butyric acid, heptyl ester
 heptyl butanoate
N-heptyl butyrate
 heptyl butyrate (natural)
 heptyl-butyrate
 heptyl-N-butyrate
 heptylbutyrate
 hetyl butyrate natural
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 propylene glycol
 water, slightly
 water, 10.87 mg/L @ 25 °C (est)
Insoluble in:
 water
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