Methyl 4-[(2R,4S)-4-hydroxy-2-pentanyl]benzoate

Modify Date: 2025-08-26 13:19:43

Methyl 4-[(2R,4S)-4-hydroxy-2-pentanyl]benzoate Structure
Methyl 4-[(2R,4S)-4-hydroxy-2-pentanyl]benzoate structure
Common Name Methyl 4-[(2R,4S)-4-hydroxy-2-pentanyl]benzoate
CAS Number 497069-11-1 Molecular Weight 222.280
Density 1.1±0.1 g/cm3 Boiling Point 337.6±17.0 °C at 760 mmHg
Molecular Formula C13H18O3 Melting Point N/A
MSDS N/A Flash Point 137.7±13.7 °C

 Names

Name Methyl 4-[(2R,4S)-4-hydroxy-2-pentanyl]benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 337.6±17.0 °C at 760 mmHg
Molecular Formula C13H18O3
Molecular Weight 222.280
Flash Point 137.7±13.7 °C
Exact Mass 222.125595
LogP 2.55
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.517
InChIKey GTQKFKYFPLSKFO-ZJUUUORDSA-N
SMILES COC(=O)c1ccc(C(C)CC(C)O)cc1

 Synonyms

Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester
Methyl 4-[(2R,4S)-4-hydroxy-2-pentanyl]benzoate
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