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

heptyl heptanoate
heptanoic acid, heptyl ester

Supplier Sponsors

Name:heptyl heptanoate
CAS Number: 624-09-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-828-6
FDA UNII:BG2A3OKN56
Nikkaji Web:J95.502G
XlogP3-AA:5.40 (est)
Molecular Weight:228.37556000
Formula:C14 H28 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:1875 heptyl heptanoate
FEMA Number:4341 heptyl heptanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):624-09-9 ; HEPTYL HEPTANOATE
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85900 to 0.86500 @ 20.00 °C.
Pounds per Gallon - (est).: 7.156 to 7.206
Refractive Index:1.42800 to 1.43200 @ 20.00 °C.
Melting Point: -33.00 °C. @ 760.00 mm Hg
Boiling Point: 276.00 to 277.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 120.00 °C. )
logP (o/w): 5.880 (est)
Soluble in:
 alcohol
 water, 0.3631 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
(Z)-3-hexen-1-yl heptanoate
hexyl heptanoate
methyl heptanoate
nonyl heptanoate
octyl heptanoate
phenethyl heptanoate
prenyl heptanoate
propyl heptanoate
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
grassy green
Odor Description:at 100.00 %. grassy green
Flavor Type: green
green
Taste Description: green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
HEPTYL HEPTANOATE NATURAL
Odor: Grassy Green
Axsyn
For experimental / research use only.
Heptanoic acid, heptylester
BOC Sciences
For experimental / research use only.
Heptyl Heptanoate
Penta International
HEPTYL HEPTANOATE NATURAL
Penta International
HEPTYL HEPTANOATE
Sigma-Aldrich
Heptyl heptanoate, natural (US), 98%
Certified Food Grade Products
 
Safety Information:
Preferred SDS: View
 
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 heptyl heptanoate usage levels up to:
  8.0000 % 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): 3.0000015.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 25.00000100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: 10.0000020.00000
granulated sugar: --
gravies: --
hard candy: 5.0000025.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 5.0000020.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69350
National Institute of Allergy and Infectious Diseases:Data
heptyl heptanoate
Chemidplus:0000624099
 
References:
 heptyl heptanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69350
Pubchem (sid):135027764
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB34461
FooDB:FDB012870
Export Tariff Code:2915.90.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
green hexanal
FL/FR
alliaceous
dibutyl sulfide
FL/FR
citrus
citronella oil ceylon
FL/FR
citronellal / methyl anthranilate schiff's base
FR
2-
heptanol
FL/FR
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
floral
mimosa absolute france
FL/FR
muguet shiseol
FL/FR
palmarosa oil
FL/FR
fruity
2-
methyl-2-pentenal
FL/FR
prenyl ethyl ether
FL/FR
green
bark carbaldehyde
FR
butyl heptanoate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
alpha-
decalactone
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
3-
hepten-2-one
FL/FR
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexenal
FL/FR
lilac acetaldehyde
FL/FR
magnolia flower oil
FL/FR
oakmoss resin
FR
propylene acetal
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
laevo-
perillaldehyde
FL/FR
perillaldehyde
FL/FR
spicy
3-(2-
furyl) acrolein
FL/FR
tonka
coumarin
FR
woody
cedarwood oil lebanon
FR
For Flavor
No flavor group found for these
ascorbic acid
FL
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
alpha-
decalactone
FL/FR
2-
ethyl pyridine
FL
3-(2-
furyl) acrolein
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
2-
heptenoic acid
FL
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexenoic acid
FL
magnolia flower oil
FL/FR
3-(
methyl thio) hexanal
FL
(E,E)-3,5-
octadien-2-one
FL
prenyl ethyl ether
FL/FR
propylene acetal
FL/FR
aromatic
aromatic
laevo-
perillaldehyde
FL/FR
citrus
citronella oil ceylon
FL/FR
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
creamy
3-
hepten-2-one
FL/FR
floral
3,7-
dimethyl-6-octenoic acid
FL/FR
muguet shiseol
FL/FR
fruity
butyl heptanoate
FL/FR
2-
heptanol
FL/FR
lilac acetaldehyde
FL/FR
2-
methyl-2-pentenal
FL/FR
grassy
palmarosa oil
FL/FR
green
dibutyl sulfide
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexenal
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
green hexanal
FL/FR
spicy
perillaldehyde
FL/FR
waxy
mimosa absolute france
FL/FR
 
Potential Uses:
FRalmond
FRgreen grass
 mallow
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 heptanoic acid heptyl ester
 heptanoic acid, heptyl ester
 heptanoicacid,heptylester
 heptyl capronate
 heptyl heptoate
 heptylheptanoate
 
 
Notes:
Used in food flavouring
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