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| CAS No.: | 502-26-1 |
|---|---|
| Name: | 5-tetradecyloxolan-2-one |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C18H34 O2 |
| Molecular Weight: | 282.467 |
| Synonyms: | Octadecanoicacid, 4-hydroxy-, g-lactone (7CI); 4-Octadecanolide; NSC 34907; g-Octadecalactone; g-Stearolactone |
| Density: | 0.905g/cm3 |
| Melting Point: | 50.1-50.3 °C |
| Boiling Point: | 375.2°Cat760mmHg |
| Flash Point: | 157.4°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 26.30000 |
| LogP: | 5.78320 |
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Chemistry
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:
Toxicity Data With Reference
| 1. | scu-mus TDLo:160 mg/kg/40W-I:NEO | CNREA8 Cancer Research. 30 (1970),1037. |
Safety Profile
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
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