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35148-19-7

Basic Information
CAS No.: 35148-19-7
Name: TRANS-9-DODECEN-1-YL ACETATE
Article Data: 21
Molecular Structure:
Molecular Structure of 35148-19-7 (TRANS-9-DODECEN-1-YL ACETATE)
Formula: C14H26 O2
Molecular Weight: 226.359
Synonyms: 9-Dodecen-1-ol,acetate, (9E)- (9CI); 9-Dodecen-1-ol, acetate, (E)-; (9E)-Dodecen-1-yl acetate;(E)-1-Acetoxy-9-dodecene; (E)-9-Dodecen-1-ol acetate; (E)-9-Dodecenyl acetate;E-9-Dodecen-1-yl acetate; trans-9-Dodecen-1-yl acetate; trans-9-Dodecenylacetate
Density: 0.881g/cm3
Boiling Point: 300.1°Cat760mmHg
Flash Point: 96.5°C
Hazard Symbols: Low toxicity by ingestion and skin contact.
Safety: Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 4.24640
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

  (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 .