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5760-50-9

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Basic Information
CAS No.: 5760-50-9
Name: METHYL UNDECYLENATE
Article Data: 7
Molecular Structure:
Molecular Structure of 5760-50-9 (METHYL UNDECYLENATE)
Formula: C12H22 O2
Molecular Weight: 198.305
Synonyms: Methyl9-undecenoate
Density: 0.886g/cm3
Boiling Point: 252.8°C at 760 mmHg
Flash Point: 84.3°C
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 3.46620
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Chemistry

Molecular Formula: C12H22O2
Molecular Weight: 198.301880 g/mol
The Molecular Structure of 9-Undecenoic acid, methyl ester (CAS NO.5760-50-9):
Classification: Skin / Eye Irritant 
IUPAC: methyl (E)-undec-9-enoate
Nominal Mass: 198 Da
Average Mass: 198.3019 Da
Monoisotopic Mass: 198.16198 Da 
ACD/LogD (pH 7.4): 4.44 
Index of Refraction: 1.444
Molar Refractivity: 59.47 cm3
Molar Volume: 223.7 cm3
Surface Tension: 29.5 dyne/cm
Density: 0.886 g/cm3
Flash Point: 84.3 °C
Enthalpy of Vaporization: 49.01 kJ/mol
Boiling Point: 252.8 °C at 760 mmHg
Vapour Pressure: 0.019 mmHg at 25°C
InChI: InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3+
Smiles: COC(CCCCCCC\C=C\C)=O

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     FCTOD7    Food and Chemical Toxicology. 20 (1982),767.
2.    

orl-rat LD50:3 g/kg

     FCTOD7    Food and Chemical Toxicology. 20 (1982),767.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 9-Undecenoic acid, methyl ester (CAS NO.5760-50-9) is also called as EINECS 227-279-3 ; FEMA No. 2750 ; Methyl 9-undecenoate ; Methyl 9-undecylenate ; Methyl undecylenate ; 9-Undecenoic acid, methyl ester ; Methyl undec-9-enoate ; Methyl undecylenate .