3-(1,3-Butadienyl)-2,4,4-Trimethylcyclohex-2-En-1-One
[CAS# 84696-84-4]

Identification

• Name: 3-(1,3-Butadienyl)-2,4,4-Trimethylcyclohex-2-En-1-One
• Synonyms: 3-[(1E)-Buta-1,3-Dienyl]-2,4,4-Trimethyl-Cyclohex-2-En-1-One; 3-[(1E)-Buta-1,3-Dienyl]-2,4,4-Trimethyl-1-Cyclohex-2-Enone; 2-Cyclohexen-1-One, 3-[(1E)-1,3-Butadienyl]-2,4,4-Trimethyl-
• Molecular Formula: C₁₃H₁₈O
• Molecular Weight: 190.28
• CAS Registry Number: 84696-84-4
• EINECS: 283-691-3
• SMILES: CC1(C(=C(C(=O)CC1)C)\C=C\C=C)C
• InChI: 1S/C13H18O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-7H,1,8-9H2,2-4H3/b7-6+
• InChIKey: NSFWSHKUSWODJO-VOTSOKGWSA-N

Properties

• Density: 0.96g/cm³ (Cal.)
• Boiling point: 290.511°C at 760 mmHg (Cal.)
• Flash point: 125.281°C (Cal.)

References

• (1): Roman Kaiser. Meaningful Scents Around the World: Olfactory, Chemical, Biological, and Cultural ConsiderationsThis book takes the reader on a fascinating fragrant journey around the world to some of the exciting places the author has visited during his 30 years of olfactory research. Following an introductory section to the world of natural scents, including their biological meaning and history, the fragrance and flavor chemist, Roman Kaiser, who is renowned for his 'headspace' analytical technique, revisits some memorable scents.