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| CAS No.: | 7460-84-6 |
|---|---|
| Name: | STEARIC ACID GLYCIDYL ESTER |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| Formula: | C21H40O3 |
| Molecular Weight: | 340.547 |
| Synonyms: | oxiran-2-ylmethyl octadecanoate; |
| Density: | 0.93g/cm3 |
| Melting Point: | 53oC |
| Boiling Point: | 193 °C / 1mmHg |
| Flash Point: | 161.8°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. |
| PSA: | 38.83000 |
| LogP: | 6.18990 |
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Chemistry
Molecule structure of Stearic acid, 2,3-epoxypropyl ester (CAS NO.7460-84-6) :
IUPAC Name: oxiran-2-ylmethyl octadecanoate
Molecular Weight: 340.5405 g/mol
Molecular Formula: C21H40O3
Density: 0.93 g/cm3
Melting Point: 53 °C
Boiling Point: 424.7 °C at 760 mmHg
Flash Point: 161.8 °C
Index of Refraction: 1.462
Molar Refractivity: 100.68 cm3
Molar Volume: 365.9 cm3
Polarizability: 39.91×10-24 cm3
Surface Tension: 34.9 dyne/cm
Enthalpy of Vaporization: 67.92 kJ/mol
Vapour Pressure: 2.03E-07 mmHg at 25 °C
XLogP3-AA: 8.2
H-Bond Acceptor: 3
Rotatable Bond Count: 19
Exact Mass: 340.297745
MonoIsotopic Mass: 340.297745
Topological Polar Surface Area: 38.8
Heavy Atom Count: 24
Complexity: 291
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1CO1
InChI: InChI=1S/C21H40O3/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/h20H,2-19H2,1H3
InChIKey: OUQGOXCIUOCDNN-UHFFFAOYSA-N
Product Categories of Stearic acid, 2,3-epoxypropyl ester (CAS NO.7460-84-6) : Oxiranes; Simple 3-Membered Ring Compounds
Toxicity Data With Reference
| 1. | cyt-rat-ipr 5 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 6 (1951),235. |
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. 187.(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
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
RTECS: WI3500000
Specification
Stearic acid, 2,3-epoxypropyl ester (CAS NO.7460-84-6) is also called 2,3-Epoxy-1-propanol stearate ; 2,3-Epoxypropyl ester of stearic acid ; 2,3-Epoxypropyl stearate ; 5-17-03-00034 (Beilstein Handbook Reference) ; AI3-03510 ; BRN 0224859 ; Glycidol stearate ; Glycidyl octadecanoate ; Glycidyl stearate ; NSC 404228 ; Oxiranylmethyl ester of octadecanoic acid ; Stearic acid, glycidyl ester ; Octadecanoic acid, oxiranylmethyl ester ; Octadecanoic acid, oxiranylmethyl ester (9CI) .