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(E)-3-hepten-1-yl isobutyrate
trans-3-heptenyl 2-methylpropanoate

Supplier Sponsors

Name:[(E)-hept-3-enyl] 2-methylpropanoate
CAS Number: 207801-32-9Picture of molecule3D/inchi
FDA UNII: 80DQ93V6ZN
Nikkaji Web:J1.544.097J
CoE Number:10663
XlogP3-AA:3.50 (est)
Molecular Weight:184.27880000
Formula:C11 H20 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
CASrn to be introduced in the Register: 207801-32-9. JECFA evaluated trans-3-heptenyl 2-methyl propanoate (CASrn 67801-45-0 which corresponds to the (S)-enantiomer).
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Perfumer and Flavorist:Search
Google Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:191 trans-3-heptenyl 2-methyl propanoate
DG SANTE Food Flavourings:09.528 trans-3-heptenyl isobutyrate
FEMA Number:3494 trans-3-heptenyl 2-methylpropanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):977045-63-8 ; TRANS-3-HEPTENYL 2-METHYLPROPANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88100 to 0.88600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.331 to 7.372
Refractive Index:1.42900 to 1.43000 @ 20.00 °C.
Boiling Point: 231.00 to 233.00 °C. @ 760.00 mm Hg
Boiling Point: 85.00 to 90.00 °C. @ 3.00 mm Hg
Vapor Pressure:0.061000 mmHg @ 25.00 °C. (est)
Flash Point: 175.00 °F. TCC ( 79.44 °C. )
logP (o/w): 3.826 (est)
Soluble in:
 alcohol
 water, 19.61 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
(E)-3-hepten-1-yl isobutyrate
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
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: 10
Click here to view publication 10
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: --
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: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):207801-32-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6437137
National Institute of Allergy and Infectious Diseases:Data
[(E)-hept-3-enyl] 2-methylpropanoate
Chemidplus:0207801329
 
References:
 [(E)-hept-3-enyl] 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:207801-32-9
Pubchem (cid):6437137
Pubchem (sid):135063861
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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):HMDB32308
FooDB:FDB016732
Export Tariff Code:2915.60.0000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
[(E)-hept-3-enyl] 2-methylpropanoate
(E)-3-hepten-1-yl 2-methyl propanoate
trans-3-hepten-1-yl 2-methyl propanoate
(E)-3-hepten-1-yl 2-methylpropanoate
trans-3-hepten-1-yl isobutyrate
trans-3-heptenyl 2-methyl propanoate
(E)-3-heptenyl 2-methylpropanoate
trans-3-heptenyl 2-methylpropanoate
3-heptenyl 2-methylpropanoate, trans-
(E)-3-heptenyl isobutyrate
trans-3-heptenyl isobutyrate
3-heptenyl isobutyrate, trans-
 
 
Notes:
Flavouring ingredient
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