trans-9,10-Epoxystearic acid methyl ester supplier

Name
TRANS-9,10-EPOXYSTEARIC ACID METHYL ESTER
EINECS
CAS No. 6084-76-0
Article Data26
CAS DataBase
Density 0.925 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₆O₃
Boiling Point 385.9 °C at 760 mmHg
Molecular Weight 312.493
Flash Point 149 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Octadecanoicacid, 9,10-epoxy-, methyl ester, trans- (8CI);Oxiraneoctanoic acid, 3-octyl-,methyl ester, (2R,3R)-rel- (9CI);Oxiraneoctanoic acid, 3-octyl-, methyl ester,trans-;Methyl trans-9,10-epoxyoctadecanoate;Methyl trans-9,10-epoxystearate;
PSA 38.83000
LogP 5.40810

trans-9,10-Epoxystearic acid methyl ester Specification

This chemical is called 2-Oxiraneoctanoic acid,3-octyl-, methyl ester, (2R,3R)-rel-, and its systematic name is methyl 8-[(2R,3R)-3-octyloxiran-2-yl]octanoate. With the molecular formula of C₁₉H₃₆O₃, its molecular weight is 312.49. The CAS registry number of this chemical is 6084-76-0.

Other characteristics of the 2-Oxiraneoctanoic acid,3-octyl-, methyl ester, (2R,3R)-rel- can be summarised as followings: (1)ACD/LogP: 6.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.6; (4)ACD/LogD (pH 7.4): 6.6; (5)ACD/BCF (pH 5.5): 61193.26; (6)ACD/BCF (pH 7.4): 61193.26; (7)ACD/KOC (pH 5.5): 92876.02; (8)ACD/KOC (pH 7.4): 92876.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 38.83 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 91.48 cm³; (15)Molar Volume: 337.4 cm³; (16)Polarizability: 36.26×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.925 g/cm³; (19)Flash Point: 149 °C; (20)Enthalpy of Vaporization: 63.48 kJ/mol; (21)Boiling Point: 385.9 °C at 760 mmHg; (22)Vapour Pressure: 3.67E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)CCCCCCC[C@H]1O[C@@H]1CCCCCCCC
2.InChI: InChI=1/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1
3.InChIKey: CAMHHLOGFDZBBG-QZTJIDSGBK

Product Name

TRANS-9,10-EPOXYSTEARIC ACID METHYL ESTER

trans-9,10-Epoxystearic acid methyl ester Specification

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