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hexyl heptanoate
heptanoic acid, hexyl ester

Supplier Sponsors

Name:hexyl heptanoate
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
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
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
 
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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Heptanoic acid, hexyl ester
M&U International
NAT. HEXYL HEPTANOATE
Penta International
HEXYL HEPTANOATE
 
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
 
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
 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: --
 
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
 
References:
 hexyl heptanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):517970
Pubchem (sid):135329058
 
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
 
Potential Blenders and core components note
For Odor
balsamic
phenethyl cinnamate
FL/FR
propyl cinnamate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
camphoreous
hinoki leaf oil
FR
citrus
neroli ketone
FR
petitgrain combava oil
FR
fatty
5-
methyl-5-hexen-2-one
FL/FR
(E)-2-
octenal
FL/FR
floral
allyl anthranilate
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
dimethyl benzyl carbinol
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
geranium pyran
FR
geranium specialty
FR
greenhouse fragrance
FR
hyacinth fragrance
FR
hyacinth specialty
FR
ocean propanal / methyl anthranilate schiff's base
FR
phenyl acetaldehyde / methyl anthranilate schiff's base
FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
4-
phenyl-2-butanol
FL/FR
iso
propyl phenyl acetate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
laevo-
rose oxide
FL/FR
fruity
(E)-2-
hexen-1-ol
FL/FR
2-
hexen-1-ol
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
bromstyrol
CS
2-iso
butyl thiazole
FL/FR
cumin acetaldehyde
FL/FR
homo
cuminic aldehyde
FR
3,5,6-neo
cyclocitral
FR
galbanum oil terpeneless
FL/FR
galbanum resinoid
FL/FR
geranium absolute
FL/FR
1-
heptanol
FL/FR
heptyl cinnamate
FL/FR
heptyl hexanoate
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
3-
hexenal
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
hexyl phenyl acetate
FL/FR
hyacinth absolute
FL/FR
hyacinth butanal
FR
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
3,6-
ivy carbaldehyde
FL/FR
ivy dioxolane
FR
english
ivy leaf absolute
FR
lawsonia inermis leaf oil CO2 extract
FR
(Z)-
leaf acetal
FL/FR
leafy acetal
FL/FR
leafy oxime
FR
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
2-
nonyn-1-al dimethyl acetal
FR
oakmoss resin
FR
oakmoss resin replacer
FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
phenethyl acetal
FR
phenethyl isopropyl ether
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl phenyl propionaldehyde
FR
iso
propyl quinoline
FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
rose leaf absolute (rosa centifolia)
FL/FR
styralyl acetate
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
geranium concrete
FL/FR
herbal heptane
FR
lovage tincture
FL/FR
mistletoe fragrance
FR
leafy
autumn fragrance
FR
minty
iso
pulegyl formate
FL/FR
pine
plectranthus glandulosus hook f. leaf oil cameroon
FR
sulfurous
3-(
methyl thio) hexanol
FL/FR
waxy
allyl nonanoate
FL/FR
methyl butyl phenyl acetate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
allyl anthranilate
FL/FR
2,3-
dimethyl-5-isobutyl pyrazine
FL
heptyl cinnamate
FL/FR
heptyl hexanoate
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexenal
FL
2-
hexenal
FL
hyacinth absolute
FL/FR
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
1,5-
octadien-3-ol
FL
(R)-2-
phenyl propyl alcohol
FL/FR
iso
pulegyl formate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
aromatic
aromatic
leafy acetal
FL/FR
balsamic
phenethyl cinnamate
FL/FR
ethereal
5-
methyl-5-hexen-2-one
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
(E)-2-
octenal
FL/FR
floral
4-
phenyl-2-butanol
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
laevo-
rose oxide
FL/FR
fruity
2-
hexen-1-ol
FL/FR
hexyl phenyl acetate
FL/FR
propyl cinnamate
FL/FR
styralyl acetate
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
2-iso
butyl thiazole
FL/FR
cumin acetaldehyde
FL/FR
galbanum oil terpeneless
FL/FR
galbanum resinoid
FL/FR
geranium absolute
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
3-
hexenal
FL/FR
2,4-
ivy carbaldehyde
FL/FR
3,6-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
geranium concrete
FL/FR
lovage tincture
FL/FR
honey
iso
propyl phenyl acetate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
solvent
1-
heptanol
FL/FR
waxy
allyl nonanoate
FL/FR
 
Potential Uses:
FRfoliage
FRgreen
 mallow
 stem
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 heptanoic acid hexyl ester
 heptanoic acid, hexyl ester
 hexyl enanthate
 
 
Notes:
Used as a food additive [EAFUS]
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