Caryophyllene, acetylated
[CAS# 75975-83-6]

Identification

• Name: Caryophyllene, acetylated
• Synonyms: Acetyl Acetate; (1R,4Z,9S)-4,11,11-Trimethyl-8-Methylene-Bicyclo[7.2.0]Undec-4-Ene; Acetic Acid Acetyl Ester; (1R,4Z,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene; Acetic Acid Acetyl Ester; (1R,4Z,9S)-4,11,11-Trimethyl-8-Methylene-Bicyclo[7.2.0]Undec-4-Ene
• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.44
• CAS Registry Number: 75975-83-6
• SMILES: [C@@H]12[C@H](CC1(C)C)C(CC/C=C(CC2)/C)=C.CC(OC(=O)C)=O
• InChI: 1S/C15H24.C4H6O3/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11;1-3(5)7-4(2)6/h6,13-14H,2,5,7-10H2,1,3-4H3;1-2H3/b11-6-;/t13-,14-;/m1./s1
• InChIKey: DWYHUKSMKNWPGU-ZTDCGIRDSA-N

Properties

• Boiling point: 268.4°C at 760 mmHg (Cal.)
• Flash point: 104.9°C (Cal.)