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5431-33-4

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Basic Information
CAS No.: 5431-33-4
Name: 2,3-epoxypropyl oleate
Article Data: 11
Molecular Structure:
Molecular Structure of 5431-33-4 (2,3-epoxypropyl oleate)
Formula: C21H38 O3
Molecular Weight: 338.531
Synonyms: 9-Octadecenoicacid (9Z)-, oxiranylmethyl ester (9CI); 9-Octadecenoic acid (Z)-,oxiranylmethyl ester; Oleic acid, 2,3-epoxypropyl ester (6CI,7CI,8CI);1-Propanol, 2,3-epoxy-, oleate (8CI); Glycidyl oleate; NSC 13542; Oleic acidglycidyl ester
Density: 0.941g/cm3
Melting Point: -1 °C
Boiling Point: 430.3°Cat760mmHg
Flash Point: 163.7°C
Safety: Moderately toxic by ingestion and subcutaneous routes. Mildly toxic by skin contact. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
PSA: 38.83000
LogP: 5.96590
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Chemistry

Molecular Structure of Glycidyl oleate (CAS NO.5431-33-4):

EINECS: 226-588-0
IUPAC Name: Oxiran-2-ylmethyl (Z)-octadec-9-enoate 
Molecular Formula: C21H38O3
Molecular Weight: 338.524620 g/mol
XLogP3-AA: 7.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC1CO1
Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1
InChI: InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3/b10-9-
InChIKey: VWYIWOYBERNXLX-KTKRTIGZSA-N
Index of Refraction: 1.472
Molar Refractivity: 100.74 cm3
Molar Volume: 359.5 cm3
Surface Tension: 35.4 dyne/cm
Density: 0.941 g/cm3
Flash Point: 163.7 °C
Enthalpy of Vaporization: 68.57 kJ/mol
Boiling Point: 430.3 °C at 760 mmHg
Vapour Pressure: 1.31E-07 mmHg at 25 °C
Water Solubility of Glycidyl oleate (CAS NO.5431-33-4): 0.002563 mg/L at 25 °C

Toxicity Data With Reference

1.    

cyt-rat-ipr 10 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 6 (1951),235.
2.    

orl-rat LD50:3520 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 24 (1963),305.
3.    

skn-rbt LD50:8000 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 24 (1963),305.

Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 11 , 1976,p. 183.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Safety Profile

Moderately toxic by ingestion and subcutaneous routes. Mildly toxic by skin contact. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.

Specification

  Glycidyl oleate with CAS Registry Number of 5431-33-4 is also known as 2,3-Epoxy-1-propanol oleate ; 2,3-Epoxypropyl ester of oleic acid ; 2,3-Epoxypropyl oleate ; AI3-03518 ; Glycidol oleate ; Glycidyl octadecenoate ; Glycidylester kyseliny olejove ; Glycidylester kyseliny olejove [Czech] ; NSC 13542 ; Oleic acid glycidyl ester ; Oxiranylmethyl ester of 9-octadecenoic acid ; 9-Octadecenoic acid (9Z)-, oxiranylmethyl ester ; 9-Octadecenoic acid (Z)-, oxiranylmethyl ester (9CI) ; Oleic acid, 2,3-epoxypropyl ester ; Oxiranyl methyl ester 9-octadecenoic acid .