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Methyl-12-oxo-trans-10-octadecenoate

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Name

Methyl-12-oxo-trans-10-octadecenoate

EINECS N/A
CAS No. 21308-79-2 Density 0.922g/cm3
PSA 43.37000 LogP 5.37590
Solubility N/A Melting Point 12.5°C
Formula C19H34 O3 Boiling Point 408.4°Cat760mmHg
Molecular Weight 310.477 Flash Point 173.9°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 21308-79-2 (METHYL-12-OXO-TRANS-10-OCTADECENOATE) Hazard Symbols N/A
Synonyms

10-Octadecenoicacid, 12-oxo-, methyl ester, (E)- (8CI); Methyl (10E)-12-oxooctadec-10-enoate;Methyl 12-oxo-trans-10-octadecenoate

Article Data 6

Methyl-12-oxo-trans-10-octadecenoate Chemical Properties

Molecule structure of Methyl-12-oxo-trans-10-octadecenoate (CAS NO.21308-79-2) :

IUPAC Name: methyl (E)-12-oxooctadec-10-enoate 
Molecular Weight: 310.47146 g/mol
Molecular Formula: C19H34O3
Density: 0.922 g/cm3 
Boiling Point: 408.4 °C at 760 mmHg 
Flash Point: 173.9 °C
Index of Refraction: 1.458
Molar Refractivity: 91.93 cm3
Molar Volume: 336.3 cm3
Polarizability: 36.44*10-24 cm3
Surface Tension: 32.8 dyne/cm 
Enthalpy of Vaporization: 66.04 kJ/mol
Vapour Pressure: 7.05E-07 mmHg at 25 °C
XLogP3-AA: 6 
H-Bond Acceptor: 3
Rotatable Bond Count: 16
Tautomer Count: 5
Exact Mass: 310.250795
MonoIsotopic Mass: 310.250795
Topological Polar Surface Area: 43.4
Heavy Atom Count: 22
Complexity: 308
Canonical SMILES: CCCCCCC(=O)C=CCCCCCCCCC(=O)OC
Isomeric SMILES: CCCCCCC(=O)/C=C/CCCCCCCCC(=O)OC
InChI: InChI=1S/C19H34O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h13,16H,3-12,14-15,17H2,1-2H3/b16-13+
InChIKey of Methyl-12-oxo-trans-10-octadecenoate (CAS NO.21308-79-2) : OHJIOGJOUIOUTD-DTQAZKPQSA-N

Methyl-12-oxo-trans-10-octadecenoate Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Methyl-12-oxo-trans-10-octadecenoate Specification

 Methyl-12-oxo-trans-10-octadecenoate (CAS NO.21308-79-2) is also called (E)-12-Oxo-10-octadecenoic acid, methyl ester ; 4-03-00-01757 (Beilstein Handbook Reference) ; BRN 1713195 ; CCRIS 676 ; trans-10-Octadecenoic acid, 12-oxo-, methyl ester .

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