{[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]Sulfanyl}Acetic Acid
[CAS# 135784-48-4]

Identification

• Name: {[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrien-1-Yl]Sulfanyl}Acetic Acid
• Synonyms: "(3,7,11-trimethyl-2E,6E,10-dodecatrienyl)thioacetic acid"; (3,7,11-trimethyl-2E,6E,10-dodecatrienyl)thioacetic acid; 2-(((2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)thio)acetic acid
• Molecular Formula: C₁₇H₂₈O₂S
• Molecular Weight: 296.47
• CAS Registry Number: 135784-48-4
• SMILES: CC(=CCC/C(=C/CC/C(=C/CSCC(=O)O)/C)/C)C
• InChI: 1S/C17H28O2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-13-17(18)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)/b15-9+,16-11+
• InChIKey: GNWWFEVBHYESNK-XGGJEREUSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 430.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 214.0±28.7°C (Cal.)
• Refractive index: 1.516 (Cal.)