• Name

  FEMA 3632

• EINECS 246-476-5
• CAS No. 24817-51-4
• Article Data3
• CAS DataBase
• Density 0.975 g/mL at 25 °C(lit.)
• Solubility Insoluble in water; soluble in oils
• Melting Point
• Formula C13H18 O2
• Boiling Point 281.9 °C at 760 mmHg
• Molecular Weight 206.285
• Flash Point 108 °C
• Transport Information
• 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
• Molecular Structure
• Hazard Symbols
• Synonyms Butyricacid, 2-methyl-, phenethyl ester (8CI); 2-Phenylethyl 2-methylbutanoate;2-Phenylethyl 2-methylbutyrate; Phenethyl 2-methylbutyrate; Phenylethyl2-methylbutyrate; b-Phenylethyl 2-methylbutyrate
• PSA 26.30000
• LogP 2.81840

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;

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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;

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Phenethyl 2-methylbutyrate Chemical Properties

Phenethyl 2-methylbutyrate Uses

Phenethyl 2-methylbutyrate Production

Phenethyl 2-methylbutyrate Toxicity Data With Reference

Phenethyl 2-methylbutyrate Consensus Reports

Phenethyl 2-methylbutyrate Safety Profile