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140-27-2

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Basic Information
CAS No.: 140-27-2
Name: FEMA 2302
Article Data: 4
Molecular Structure:
Molecular Structure of 140-27-2 (FEMA 2302)
Formula: C14H18O2
Molecular Weight: 218.296
Synonyms: Butanoicacid, 3-methyl-, 3-phenyl-2-propenyl ester (9CI);Isovaleric acid, cinnamylester (6CI,7CI,8CI);3-Phenyl-2-propen-1-yl 3-methylbutanoate;3-Phenyl-2-propen-1-yl isovalerate;3-Phenylallyl isovalerate;Cinnamylalcohol, isovalerate;NSC 46141;
EINECS: 205-407-9
Density: 1.007 g/cm3
Boiling Point: 323.014 °C at 760 mmHg
Flash Point: 128.316 °C
PSA: 26.30000
LogP: 3.28910
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Chemistry

IUPAC Name: [(E)-3-Phenylprop-2-enyl] 3-methylbutanoate
Synonyms: (2E)-3-Phenylprop-2-en-1-yl 3-methylbutanoate ; Butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester ; FEMA 2302 ; 3-Methylbutanoic acid 3-phenyl-2-propenyl ester ; 3-Phenyl-2-propenyl 3-methylbutanoate ; 3-Phenylallyl 3-methylbutanoate ; 3-Phenylallyl isovalerate
Molecular Structure of 3-Phenylallyl isovalerate (CAS NO.140-27-2) :
Molecular Formula of 3-Phenylallyl isovalerate (CAS NO.140-27-2) : C14H18O2
Molecular Weight of 3-Phenylallyl isovalerate (CAS NO.140-27-2) : 218.29
CAS NO: 140-27-2
EINECS: 205-407-9
FEMA : 2302
Index of Refraction: 1.53
Surface Tension: 36 dyne/cm
Density: 1.006 g/cm3
Flash Point: 128.3 °C
Enthalpy of Vaporization: 56.49 kJ/mol
Boiling Point: 323 °C at 760 mmHg
Vapour Pressure: 0.000269 mmHg at 25°C
Appearance: colorless to slightly yellow liquid
Solubility: miscible in ethanol, ethyl ether, chloroform and most of the non-volatile oil, insoluble in propylene glycol, glycerin and water.

Uses

GB 2760 - 1996 provides that 3-Phenylallyl isovalerate (CAS NO.140-27-2) is used for the use of edible spices. Is mainly used for the preparation of apple and strawberry flavor.

Production

Raw materials:cinnamic alcohol
 3-Phenylallyl isovalerate (CAS NO.140-27-2) is derived by direct esterification reaction of Gui alcohol with isovaleric .

Toxicity Data With Reference

1.    

orl-rat LD50:5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),857.
2.    

skn-rbt LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),857.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
WGK Germany 2
RTECS EK7902515