Product Name: 5-tetradecyloxolan-2-one
CAS Registry Number: 502-26-1
IUPAC Name: 5-tetradecyloxolan-2-one
Synonyms: 4-Octadecalactone ; 4-Octadecanolide ; 5-17-09-00110 (Beilstein Handbook Reference) ; BRN 0167220 ; Dihydro-5-tetradecyl-2(3H)-furanone ; NSC 34907 ; Octadecanoic acid, 4-hydroxy-, gamma-lactone ; gamma-Octadecalactone ; 5-tetradecyloxolan-2-one
Systematic Name: 2(3H)-Furanone, dihydro-5-tetradecyl- ; Octadecanoic acid, 4-hydroxy-, gamma-lactone (7CI)
Molecular Weight: 282.46136 [g/mol]
Molecular Formula: C18H34O2
XLogP3: 7.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Surface Tension: 32.5 dyne/cm
Density: 0.905 g/cm3
Flash Point: 157.4 °C
Enthalpy of Vaporization: 62.27 kJ/mol
Boiling Point: 375.2 °C at 760 mmHg
Vapour Pressure: 7.92E-06 mmHg at 25°C
Following is the molecular structure of 5-tetradecyloxolan-2-one (CAS NO.502-26-1) is:
1. | scu-mus TDLo:160 mg/kg/40W-I:NEO | CNREA8 Cancer Research. 30 (1970),1037. |
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Descriptors computed from structure, you can know some information about 5-tetradecyloxolan-2-one (CAS NO.502-26-1) :
Canonical SMILES: CCCCCCCCCCCCCCC1CCC(=O)O1
InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h17H,2-16H2,1H3
InChIKey: GYDWWIHJZSCRGV-UHFFFAOYSA-N
Tautomer Count: 2
Exact Mass: 282.25588
MonoIsotopic Mass: 282.25588
Topological Polar Surface Area: 26.3
Heavy Atom Count: 20
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