2-hepten-1-yl isovalerate

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2-heptenyl isovalerate

CAS: 253596-70-2 C12 H22 O2 MW: 198.30574000

Identification

Name2-hepten-1-yl isovalerate
CAS Number253596-70-2
FDA UNII8QNC1819P5
Molecular FormulaC12 H22 O2
Molecular Weight198.30574000
Nikkaji NumberJ368.133E
CoE Number10664

Regulatory

JECFA Food Flavoring1799 (E,Z)-hept-2-en-1-yl isovalerate
DG SANTE Food Flavourings09.303 hept-2-enyl isovalerate
FEMA Number4126
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)253596-70-2 ; 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 mmHg @ 25.00 °C. (est)
Flash Point 181.00 °F. TCC ( 83.00 °C. ) (est)
logP (o/w) 4.521 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description sweet green

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)5.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1700 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods10.00000
beverages(nonalcoholic)5.00000
beverages(alcoholic)-
breakfast cereal5.00000
cheese7.00000
chewing gum-
condiments / relishes5.00000
confectionery froastings10.00000
egg products-
fats / oils5.00000
fish products2.00000
frozen dairy7.00000
fruit ices10.00000
gelatins / puddings5.00000
granulated sugar-
gravies20.00000
hard candy-
imitation dairy7.00000
instant coffee / tea-
jams / jellies5.00000
meat products2.00000
milk products7.00000
nut products-
other grains5.00000
poultry2.00000
processed fruits7.00000
processed vegetables-
reconstituted vegetables-
seasonings / flavors5.00000
snack foods10.00000
soft candy-
soups5.00000
sugar substitutes-
sweet sauces5.00000
Dairy products, excluding products of category 02.0 (01.0)5.70000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)1.50000
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)5.00000
Confectionery (05.0)5.50000
Chewing gum (05.3)6.02000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)4.80000
Bakery wares (07.0)5.00000
Meat and meat products, including poultry and game (08.0)0.90000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)-
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)2.00000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)1.00000
Ready-to-eat savouries (15.0)2.50000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)-

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Potential Uses

None Found

Natural Occurrence

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 Try the PubMed Search.