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Name	Phenethyl 2-methylbutyrate	EINECS	246-476-5
CAS No.	24817-51-4	Density	0.975 g/mL at 25 °C(lit.)
PSA	26.30000	LogP	2.81840
Solubility	Insoluble in water; soluble in oils	Melting Point	N/A
Formula	C13H18 O2	Boiling Point	281.9 °C at 760 mmHg
Molecular Weight	206.285	Flash Point	108 °C
Transport Information	N/A	Appearance	Colourless liquid; sweet floral fruity odour with a warm, oily-herbaceous undertone
Safety	Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Butyricacid, 2-methyl-, phenethyl ester (8CI); 2-Phenylethyl 2-methylbutanoate;2-Phenylethyl 2-methylbutyrate; Phenethyl 2-methylbutyrate; Phenylethyl2-methylbutyrate; b-Phenylethyl 2-methylbutyrate	Article Data	3

Phenethyl 2-methylbutyrate Synthetic route

: 1460-34-0
2-oxo-3(RS)-methylvaleric acid

: 60-12-8
2-phenylethanol

: 24817-51-4
2-methyl-butanoic acid 2-phenylethyl ester

Conditions

Conditions	Yield
With 3-nitro(diacetoxyiodo)benzene In dichloromethane at 20℃; for 24h; Sealed tube; Darkness; chemoselective reaction;	85%

: 106-98-9
1-butylene

: 201230-82-2
carbon monoxide

: 60-12-8
2-phenylethanol

A: 24817-51-4
2-methyl-butanoic acid 2-phenylethyl ester

B: 7460-74-4
phenethylpentanoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; palladium(II) bromide; 2-(dicyclohexylphosphino)-1-(2-methoxyphenyl)-1H-pyrrole In toluene at 100℃; under 30003 Torr; for 20h; Overall yield = 96 %; regioselective reaction;

: 107-01-7
butene-2

: 201230-82-2
carbon monoxide

: 60-12-8
2-phenylethanol

A: 24817-51-4
2-methyl-butanoic acid 2-phenylethyl ester

B: 7460-74-4
phenethylpentanoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; palladium(II) bromide; 2-(dicyclohexylphosphino)-1-(2-methoxyphenyl)-1H-pyrrole In toluene at 100℃; under 30003 Torr; for 20h; Overall yield = 90 %; regioselective reaction;

Phenethyl 2-methylbutyrate Chemical Properties

Product Name: FEMA 3632
Synonyms: FEMA 3632 ; 2-Phenylethyl 2-methylbutyrate ; Anatolyl ; 2-Methyl-butanoicaci ;2-Phenylethylester ; 2-Methyl-butyricaciphenethylester ; Benzylcarbinyl2-methylbutyrate ; Beta-phenylethylalpha-methylbutanoate ; Butanoicacid,2-methyl-,2-phenylethylester
CAS NO: 24817-51-4
Molecular Formula: C₁₃H₁₈O₂
Molecular Weight:206.28
Molecular Structure:
EINECS: 246-476-5
FEMA: 3632
Mol File: 24817-51-4.mol
Index of Refraction: 1.493
Surface Tension: 34.2 dyne/cm
Density: 0.988 g/cm³
Flash Point: 108 °C
Enthalpy of Vaporization: 52.07 kJ/mol
Boiling Point: 281.9 °C at 760 mmHg
Vapour Pressure: 0.00347 mmHg at 25°C
Appearance: Phenethyl 2-methylbutyrate (CAS NO.24817-51-4) is colorless liquid with roses and fruit flavor.
Solubility: Phenethyl 2-methylbutyrate (CAS NO.24817-51-4) is soluble in ethanol, and most of the non-volatile oil, insoluble in water.

Phenethyl 2-methylbutyrate Uses

GB 2760-96 provides Phenethyl 2-methylbutyrate (CAS NO.24817-51-4) for the use of spices, mainly for the preparation of honey flavor.

Phenethyl 2-methylbutyrate Production

made from esterification of benzene ethanol and 2 - methyl-butyric acid.

Phenethyl 2-methylbutyrate Toxicity Data With Reference

1.		orl-rat LD50:>5 g/kg		FCTOD7 Food and Chemical Toxicology. 26 (1988),399.
2.		skn-rbt LD50:>5 g/kg		FCTOD7 Food and Chemical Toxicology. 26 (1988),399.

Phenethyl 2-methylbutyrate Consensus Reports

Reported in EPA TSCA Inventory.

Phenethyl 2-methylbutyrate Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
WGK Germany 2
RTECS EK7902510

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