hexyl heptanoate
heptanoic acid, hexyl ester
 
Notes:
Used as a food additive [EAFUS]
  • M&U International
    • M&U International LLC
      Steady supply & demand
      Meeting customers increasing demands at home as well as abroad.
      M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers.
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      US Voice: 908-359-9000
      US Fax: 908-359-9002
      News
      Product(s):
      N0216 NAT. HEXYL HEPTANOATE
       
  • 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.
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      Product(s):
      08-40400 HEXYL HEPTANOATE
       
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CAS Number: 1119-06-8Picture of molecule3D/inchi
FDA UNII: G02H8871NA
Nikkaji Web: J115.082K
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
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JECFA Food Flavoring: 1872  hexyl heptanoate
FEMA Number: 4337  hexyl heptanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1119-06-8 ; HEXYL HEPTANOATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86000 to 0.86500 @  20.00 °C.
Pounds per Gallon - (est).: 7.164 to  7.206
Refractive Index: 1.42600 to 1.43000 @  20.00 °C.
Boiling Point: 252.00 to  253.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.014000 mmHg @ 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 heptanoate
amyl heptanoate
isoamyl heptanoate
benzyl heptanoate
butyl heptanoate
isobutyl heptanoate
decyl heptanoate
ethyl 2-acetyl heptanoate
ethyl heptanoate
eugenyl heptanoate
furfuryl heptanoate
geranyl heptanoate
heptyl heptanoate
(Z)-3-hexen-1-yl heptanoate
methyl heptanoate
nonyl heptanoate
octyl heptanoate
phenethyl heptanoate
prenyl heptanoate
propyl heptanoate
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium
 
 foliage  green  leafy  cognac  
Odor Description:
at 100.00 %. 
dank foliage mallow leaves green
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Heptanoic acid, hexyl ester
M&U International
NAT. HEXYL HEPTANOATE
Penta International
HEXYL HEPTANOATE
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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 hexyl heptanoate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.200001.00000
beverages(alcoholic): 0.400002.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.500002.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.000005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.500002.50000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 517970
National Institute of Allergy and Infectious Diseases: Data
 hexyl heptanoate
Chemidplus: 0001119068
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References:
 hexyl heptanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 517970
Pubchem (sid): 135329058
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32326
FooDB: FDB009576
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
 phenethyl cinnamateFL/FR
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
camphoreous
 hinoki leaf oilFR
citrus
 heptyl phenyl acetate 
 neroli ketoneFR
 petitgrain combava oilFR
fatty
5-methyl-5-hexen-2-oneFL/FR
(E)-2-octenalFL/FR
(Z)-2-octenal 
floral
 allyl anthranilateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 geranium pyranFR
 geranium specialtyFR
 greenhouse fragranceFR
 hyacinth fragranceFR
 hyacinth specialtyFR
 methacrolein 
 ocean propanal / methyl anthranilate schiff's baseFR
 phenyl acetaldehyde / methyl anthranilate schiff's baseFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
(R)-2-phenyl propyl alcoholFL/FR
4-phenyl-2-butanolFL/FR
isopropyl phenyl acetateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
fruity
alpha-heptyl cinnamaldehyde 
(E)-2-hexen-1-olFL/FR
2-hexen-1-olFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 artichoke leaf 
 bromstyrolCS
2-isobutyl thiazoleFL/FR
 cumin acetaldehydeFL/FR
homocuminic aldehydeFR
3,5,6-neocyclocitralFR
 galbanum oil terpenelessFL/FR
 galbanum resinoidFL/FR
 geranium absoluteFL/FR
1-heptanolFL/FR
 heptyl cinnamateFL/FR
 heptyl hexanoateFL/FR
3-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
3-hexenalFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
alpha-hexyl cinnamaldehyde dimethyl acetalFR
 hexyl phenyl acetateFL/FR
 hyacinth absoluteFL/FR
 hyacinth butanalFR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy dioxolaneFR
english ivy leaf absoluteFR
 lawsonia inermis leaf oil CO2 extractFR
(Z)-leaf acetalFL/FR
 leafy acetalFL/FR
 leafy oximeFR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
2-nonyn-1-al dimethyl acetalFR
 oakmoss resinFR
 oakmoss resin replacerFR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 phenethyl acetalFR
 phenethyl isopropyl etherFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl phenyl propionaldehydeFR
isopropyl quinolineFR
 rosa damascena leaf absoluteFR
 rosacyanthinFR
 rose leaf absolute (rosa centifolia)FL/FR
 styralyl acetateFL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 geranium concreteFL/FR
 herbal heptaneFR
 lovage tinctureFL/FR
 mistletoe absolute 
 mistletoe fragranceFR
leafy
 autumn fragranceFR
minty
isopulegyl formateFL/FR
pine
 plectranthus glandulosus hook f. leaf oil cameroonFR
sulfurous
3-(methyl thio) hexanolFL/FR
waxy
 allyl nonanoateFL/FR
 methyl butyl phenyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 allyl anthranilateFL/FR
2,3-dimethyl-5-isobutyl pyrazineFL
alpha-heptyl cinnamaldehyde 
 heptyl cinnamateFL/FR
 heptyl hexanoateFL/FR
 heptyl phenyl acetate 
3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-2-hexenalFL
2-hexenalFL
 hyacinth absoluteFL/FR
 ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 methacrolein 
2-methyl-3-heptanoneFL
3-methyl-3-pentanolFL
 mistletoe absolute 
1,5-octadien-3-olFL
(Z)-2-octenal 
(R)-2-phenyl propyl alcoholFL/FR
isopulegyl formateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
aromatic
 leafy acetalFL/FR
balsamic
 phenethyl cinnamateFL/FR
ethereal
5-methyl-5-hexen-2-oneFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
(E)-2-octenalFL/FR
floral
4-phenyl-2-butanolFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
fruity
2-hexen-1-olFL/FR
 hexyl phenyl acetateFL/FR
 propyl cinnamateFL/FR
 styralyl acetateFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 artichoke leaf 
2-isobutyl thiazoleFL/FR
 cumin acetaldehydeFL/FR
 galbanum oil terpenelessFL/FR
 galbanum resinoidFL/FR
 geranium absoluteFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-2-hexen-1-olFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
3-hexenalFL/FR
2,4-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 geranium concreteFL/FR
 lovage tinctureFL/FR
honey
isopropyl phenyl acetateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
metallic
3-(methyl thio) hexanolFL/FR
solvent
1-heptanolFL/FR
waxy
 allyl nonanoateFL/FR
 
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Potential Uses:
 foliageFR
 greenFR
 mallow 
 stem 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 heptanoic acid hexyl ester
 heptanoic acid, hexyl ester
 hexyl enanthate
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