S-Methyl 2,4-Dihydroxy-5-(3-Hydroxybutyl)-3,6-Dimethylbenzenecarbothioate
[CAS# 126651-92-1]

Identification

• Name: S-Methyl 2,4-Dihydroxy-5-(3-Hydroxybutyl)-3,6-Dimethylbenzenecarbothioate
• Synonyms: S-Methyl 2,4-Dihydroxy-5-(3-Hydroxybutyl)-3,6-Dimethyl-Benzenecarbothioate; 2,4-Dihydroxy-5-(3-Hydroxybutyl)-3,6-Dimethylbenzenecarbothioic Acid S-Methyl Ester; 2,4-Dihydroxy-5-(3-Hydroxybutyl)-3,6-Dimethyl-Thiobenzoic Acid S-Methyl Ester
• Molecular Formula: C₁₄H₂₀O₄S
• Molecular Weight: 284.37
• CAS Registry Number: 126651-92-1
• SMILES: C(C1=C(C(=C(C(=C1O)C)O)C(SC)=O)C)CC(C)O
• InChI: 1S/C14H20O4S/c1-7(15)5-6-10-8(2)11(14(18)19-4)13(17)9(3)12(10)16/h7,15-17H,5-6H2,1-4H3
• InChIKey: YIKHKZNDXADDGL-UHFFFAOYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 479.196°C at 760 mmHg (Cal.)
• Flash point: 243.609°C (Cal.)