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

2-hepten-1-yl isovalerate
2-heptenyl isovalerate

Supplier Sponsors

CAS Number: 253596-70-2Picture of molecule3D/inchi
FDA UNII:8QNC1819P5
Nikkaji Web:J368.133E
CoE Number:10664
Molecular Weight:198.30574000
Formula:C12 H22 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
JECFA Food Flavoring:1799 (E,Z)-hept-2-en-1-yl isovalerate
FLAVIS Number:09.303 (Old)
DG SANTE Food Flavourings:09.303 hept-2-enyl isovalerate
FEMA Number:4126 hept-2-en-1-yl isovalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: HEPT-2-EN-1-YL ISOVALERATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86800 to 0.87300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.223 to 7.264
Refractive Index:1.44300 to 1.44900 @ 20.00 °C.
Boiling Point: 262.00 to 263.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.021000 mm/Hg @ 25.00 °C. (est)
Flash Point: 181.00 °F. TCC ( 83.00 °C. ) (est)
logP (o/w): 4.521 (est)
Soluble in:
 alcohol
 water, 6.351 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:sweet green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Butanoic acid,3-methyl-, 2-hepten-1-yl ester
Parchem
2-hepten-1-yl isovalerate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Structure Class: I
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: 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
 
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):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6366434
National Institute of Allergy and Infectious Diseases:Data
hept-2-enyl 3-methylbutanoate
Chemidplus:0094109974
 
References:
 hept-2-enyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6366434
Pubchem (sid):135216483
 
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB009553
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
iso
amyl benzoate
FL/FR
citrus
2-
heptanol
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
allyl octanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
floral
beta-
ocimene
FL/FR
rose butanoate
FL/FR
fruity
allyl amyl glycolate
FR
allyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
heptanal cyclic ethylene acetal
FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
nerolidyl isobutyrate
FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical thiazole
FL/FR
green
iso
amyl formate
FL/FR
alpha-
decalactone
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
hexyl octanoate
FL/FR
manzanate (Givaudan)
FL/FR
phenoxyethyl isobutyrate
FL/FR
violet dienyne
FR
herbal
tagete oil india
FL/FR
sulfurous
mango thiol
FL/FR
tropical
beta-
cyclocitral
FL/FR
2-
tropical oxathiane
FL/FR
waxy
nonyl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
verdoxan
FR
For Flavor
No flavor group found for these
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl (E)-2-hexenoate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
2-
tropical oxathiane
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
cooling
manzanate (Givaudan)
FL/FR
estery
ethyl acetoacetate
FL/FR
fatty
allyl octanoate
FL/FR
fruity
iso
amyl benzoate
FL/FR
iso
amyl octanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
furfuryl propionate
FL
2-
heptanol
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl octanoate
FL/FR
methyl 2-undecynoate
FL
beta-
ocimene
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
tagete oil india
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sulfurous
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
nonyl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 hept-2-en-1-yl isovalerate
(E,Z)-hept-2-en-1-yl isovalerate
 hept-2-en-1-ylisovalerate
 hept-2-enyl 3-methylbutanoate
 hept-2-enyl isovalerate
2-heptenyl isovalerate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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