(7Z)-dodec-7-en-1-yl acetate

• ChemBase ID: 135478
• Molecular Formular: C14H26O2
• Molecular Mass: 226.35504
• Monoisotopic Mass: 226.19328007
• SMILES: CCCC/C=C\CCCCCCOC(=O)C
• Canonical SMILES: CCCC/C=C\CCCCCCOC(=O)C
• InChI: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6-
• InChIKey: MUZGQHWTRUVFLG-SREVYHEPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7Z)-dodec-7-en-1-yl acetate
• IUPAC Traditional name: 7-dodecen-1-ol acetate (Z)
• Synonyms: Z-7-DDA; Looplure; cis-7-Dodecenyl acetate; 诱尺蛾酯; 顺-7-十二烯醇乙酸酯; (Z)-7-十二碳烯-1-醇乙酸酯

Database IDs

• CAS Number: 14959-86-5
• EC Number: 239-031-1
• MDL Number: MFCD00009878
• PubChem SID: 162229752
• PubChem CID: 5363527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.441075
• LogD (pH = 7.4): 4.441075
• Log P: 4.441075
• Molar Refractivity: 69.211 cm^3
• Polarizability: 27.045694 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 142 °F; 61 °C

Safety Information

• RTECS: JR5265000
• German water hazard class: 2

Product Information

• Empirical Formula (Hill Notation): C14H26O2