Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate
[CAS# 3675-00-1]

Identification

• Name: Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate
• Synonyms: (2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienoic acid methyl ester; (2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate; 2-trans-Farnesic acid methyl ester
• Molecular Formula: C₁₆H₂₆O₂
• Molecular Weight: 250.38
• CAS Registry Number: 3675-00-1
• SMILES: CC(=CCC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C
• InChI: 1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+,15-12+
• InChIKey: NWKXNIPBVLQYAB-VDQVFBMKSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 336.0±31.0°C at 760 mmHg (Cal.)
• Flash point: 161.7±16.0°C (Cal.)

Safety Data

• Safety Description: IRRITANT