2-[(3-Methylbutyl)thio]benzoic acid

Modify Date: 2025-10-04 16:08:41

2-[(3-Methylbutyl)thio]benzoic acid Structure
2-[(3-Methylbutyl)thio]benzoic acid structure
Common Name 2-[(3-Methylbutyl)thio]benzoic acid
CAS Number 17839-63-3 Molecular Weight 224.319
Density 1.1±0.1 g/cm3 Boiling Point 344.7±25.0 °C at 760 mmHg
Molecular Formula C12H16O2S Melting Point N/A
MSDS N/A Flash Point 162.3±23.2 °C

 Names

Name 2-[(3-Methylbutyl)thio]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 344.7±25.0 °C at 760 mmHg
Molecular Formula C12H16O2S
Molecular Weight 224.319
Flash Point 162.3±23.2 °C
Exact Mass 224.087097
LogP 4.52
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.563
InChIKey UACLGFBCPUCMFP-UHFFFAOYSA-N
SMILES CC(C)CCSc1ccccc1C(=O)O

 Synonyms

2-[(3-Methylbutyl)sulfanyl]benzoic acid
2-[(3-Methylbutyl)thio]benzoic acid
Benzoic acid, 2-[(3-methylbutyl)thio]-
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