5-Methyl-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxylic Acid
[CAS# 588698-05-9]

Identification

• Name: 5-Methyl-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxylic Acid
• Synonyms: 5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid; 5-Methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-2-carboxylic acid; BAS 12543444
• Molecular Formula: C₁₀H₁₂O₂S
• Molecular Weight: 196.27
• CAS Registry Number: 588698-05-9
• SMILES: CC1CCC2=C(C1)C=C(S2)C(=O)O
• InChI: 1S/C10H12O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h5-6H,2-4H2,1H3,(H,11,12)
• InChIKey: AKQCTDMGIZKFRX-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 365.1±42.0°C at 760 mmHg (Cal.)
• Flash point: 174.6±27.9°C (Cal.)
• Refractive index: 1.585 (Cal.)

Safety Data

• Safety Description: IRRITANT