3-(Acetylsulfanyl)Hexyl Acetate
[CAS# 136954-25-1]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aromatic carboxylic acid ester
• Name: 3-(Acetylsulfanyl)Hexyl Acetate
• Synonyms: 3-(ACETYLTHIO)HEXYL ACETATE; 3-(ACETYLTHIO)HEXYLACETATE
• Molecular Formula: C₁₀H₁₈O₃S
• Molecular Weight: 218.31
• CAS Registry Number: 136954-25-1
• SMILES: O=C(SC(CCOC(=O)C)CCC)C
• InChI: 1S/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3
• InChIKey: GSJSVAFGVJLTNQ-UHFFFAOYSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 290.624°C at 760 mmHg (Cal.)
• Flash point: 125.503°C (Cal.)
• Refractive index: 1.47 (Cal.)