TRANS-9,10-EPOXYOCTADECANOIC ACID

Molecular Structure of cis-9,10-Epoxystearic acid (CAS NO. 2443-39-2):

EINECS: 219-477-3
IUPAC Name:  8-(3-Octyloxiran-2-yl)octanoic acid 
Molecular Formula: C₁₈H₃₄O₃
Molecular Weight: 298.460760 g/mol
XLogP3-AA: 6.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CCCCCCCCC1C(O1)CCCCCCCC(=O)O
InChI: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
InChIKey: IMYZYCNQZDBZBQ-UHFFFAOYSA-N
Index of Refraction: 1.467
Molar Refractivity: 86.64 cm³
Molar Volume: 312.1 cm³
Surface Tension: 37.4 dyne/cm
Density: 0.956 g/cm³
Flash Point: 141.1 °C
Enthalpy of Vaporization: 74.27 kJ/mol
Boiling Point: 422.9 °C at 760 mmHg
Vapour Pressure: 2.46E-08 mmHg at 25 °C
Water Solubility: 0.1007 mg/L at 25 °C
Storage Temp.: - 20°C

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. 153.(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 Information of cis-9,10-Epoxystearic acid (CAS NO. 2443-39-2):
WGK Germany: 3
RTECS: RG1300000
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and fumes.

  cis-9,10-Epoxystearic acid with cas registry number of 2443-39-2 is an epoxy fatty acid found in Pneumocystis carinii lipids, also known as 3-Octyloxiran-2-octanoic acid ; 9,10-Epoxyoctadecanoic acid ; 9,10-Epoxystearic acid ; AI3-14196 ; NSC 179691 ; Oleic acid epoxide ; Oxidized oleic acid ; Oxiraneoctanoic acid, 3-octyl- ; Oxiraneoctanoic acid, 3-octyl- (9CI) ; Octadecanoic acid, 9,10-epoxy- .