Molecular Structure of (E)-9-Dodecenyl acetate (CAS NO. 35148-19-7):
EINECS: 252-397-7
IUPAC Name: [(E)-Dodec-9-enyl] acetate
Molecular Formula: C14H26O2
Molecular Weight: 226.355040 g/mol
XLogP3-AA: 4.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CCC=CCCCCCCCCOC(=O)C
Isomeric SMILES: CC/C=C/CCCCCCCCOC(=O)C
InChI: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3/b5-4+
InChIKey: MFFQOUCMBNXSBK-SNAWJCMRSA-N
Index of Refraction: 1.448
Molar Refractivity: 68.74 cm3
Molar Volume: 256.7 cm3
Surface Tension: 30 dyne/cm
Density: 0.881 g/cm3
Flash Point: 96.5 °C
Enthalpy of Vaporization: 54.02 kJ/mol
Boiling Point: 300.1 °C at 760 mmHg
Vapour Pressure: 0.00114 mmHg at 25 °C
Water Solubility of (E)-9-Dodecenyl acetate (CAS NO. 35148-19-7): 0.5682 mg/L at 25 °C
1. | orl-rat LD50:>15,000 mg/kg | HBPTO* Handbook of pesticide toxicology. 1 (2001),142. | ||
2. | skn-rbt LD50:>3000 mg/kg | HBPTO* Handbook of pesticide toxicology. 1 (2001),142. |
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
(E)-9-Dodecenyl acetate with cas registry number of 35148-19-7 is also called for (E)-9-Dodecen-1-ol acetate ; (E)-9-Dodecen-1-yl acetate ; (E)-Dodec-9-enyl acetate ; 9-Dodecen-1-ol, 1-acetate, (9E)- ; 9-Dodecen-1-ol, acetate, (9E)- ; 9-Dodecen-1-ol, acetate, (E)- ; AI3-33973 ; EPA Pesticide Chemical Code 119004 .
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