heptyl hexanoate
hexanoic acid, heptyl ester
 
Notes:
None found
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W08S1 heptyl caproate
       
  • 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
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      Product(s):
      08-14000 HEPTYL CAPROATE, Kosher
       
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heptyl hexanoate (Click)
CAS Number: 6976-72-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 230-239-8
Nikkaji Web: J115.075H
CoE Number: 10666
XlogP3-AA: 4.90 (est)
Molecular Weight: 214.34862000
Formula: C13 H26 O2
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
IBM Patents: Obtain
Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 09.390 (Old)
DG SANTE Food Flavourings: 09.390  heptyl hexanoate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85900 to 0.86500 @  25.00 °C.
Pounds per Gallon - (est).: 7.148 to  7.198
Refractive Index: 1.42100 to 1.42700 @  20.00 °C.
Melting Point: -34.40 °C. @ 760.00 mm Hg
Boiling Point: 259.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.014000 mm/Hg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.44 °C. )
logP (o/w): 5.371 (est)
Soluble in:
 alcohol
 water, 1.132 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium
 green  sappy  
Odor Description:
at 100.00 %. 
damp green sappy freshly bruised mallow or dock leaves
  
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Cosmetic Information:
None found
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Suppliers:
CTC Organics
heptyl caproate
Inoue Perfumery
HEPTYL HEXANOATE
Penta International
HEPTYL CAPROATE, Kosher
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Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for heptyl hexanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (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
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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)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 81464
National Institute of Allergy and Infectious Diseases: Data
 heptyl hexanoate
Chemidplus: 0006976723
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References:
 heptyl hexanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 6976-72-3
Pubchem (cid): 81464
Pubchem (sid): 135038736
Pherobase: 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
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
amber
 acetoxymethyl isolongifoleneFR
 formoxymethyl isolongifoleneFR
 hydroxymethyl isolongifolene 50% in dpgFR
balsamic
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
clean
 clean nitrileFR
floral
 anisyl propanal / methyl anthranilate schiff's baseFR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ethyl linaloolFR
 ocean propanal / methyl anthranilate schiff's baseFR
bitter orangeflower absolute moroccoFL/FR
 petitgrain oil paraguayFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
isopropyl phenyl acetateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
green
2-isobutyl thiazoleFL/FR
 cumin acetaldehydeFL/FR
homocuminic aldehydeFR
 diphenyl methaneFL/FR
3-hexenalFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 ivy dioxolaneFR
 leafy oximeFR
 magnolia flower oilFL/FR
 narcissus flower absoluteFR
 phenethyl acetalFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
3-phenyl propionaldehydeFL/FR
isopropyl quinolineFR
herbal
 clary acetateFR
 clary propyl acetateFR
 clary sage resin americaFR
 costmary oil (chrysanthemum balsamita)FR
 herbal careneFR
 ocimene oxiraneFR
 theaspiraneFL/FR
waxy
 allyl nonanoateFL/FR
 
For Flavor
 
No flavor group found for these
 cumin acetaldehydeFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
 magnolia flower oilFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
aromatic
 diphenyl methaneFL/FR
citrus
 petitgrain oil paraguayFL/FR
cooling
 theaspiraneFL/FR
floral
bitter orangeflower absolute moroccoFL/FR
laevo-rose oxideFL/FR
fruity
 propyl cinnamateFL/FR
green
2-isobutyl thiazoleFL/FR
3-hexenalFL/FR
3-phenyl propionaldehydeFL/FR
honey
 phenyl acetaldehyde diisobutyl acetalFL/FR
isopropyl phenyl acetateFL/FR
waxy
 allyl nonanoateFL/FR
 
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Potential Uses:
 greenFR
 mallow 
 sap 
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Occurrence (nature, food, other): note
 apple fruit
Search  Picture
 heracleum candolleanum rhizome oil india @ 7.90%
Data  GC  Search Trop  Picture
 passion fruit
Search Trop  Picture
 wine white wine
Search  Picture
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Synonyms:
 caproic acid, heptyl ester
 heptyl caproate
N-heptyl hexanoate
 hexanoic acid heptyl ester
 hexanoic acid, heptyl ester
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