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| CAS No.: | 18979-94-7 |
|---|---|
| Name: | 4-chloro-2-hexylphenol |
| Molecular Structure: | |
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| Formula: | C12H17 Cl O |
| Molecular Weight: | 212.719 |
| Synonyms: | 4-Chloro-2-hexylphenol |
| Density: | 1.07g/cm3 |
| Boiling Point: | 300.8°C at 760 mmHg |
| Flash Point: | 135.7°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic data by skin contact. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also CHLOROPHENOLS. |
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Chemistry
Product Name: 4-Chloro-2-hexylphenol (CAS NO.18979-94-7)
Molecular Formula: C12H17ClO
Molecular Weight: 212.74g/mol
Mol File: 18979-94-7.mol
Boiling point: 300.8 °C at 760 mmHg
Flash Point: 135.7 °C
Density: 1.07 g/cm3
Surface Tension: 38.2 dyne/cm
Enthalpy of Vaporization: 56.25 kJ/mol
Vapour Pressure: 0.000616 mmHg at 25°C
XLogP3-AA: 5.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 4-Chloro-2-hexylphenol (CAS NO.18979-94-7):
IUPAC Name: 4-Chloro-2-hexylphenol
Canonical SMILES: CCCCCCC1=C(C=CC(=C1)Cl)O
InChI: InChI=1S/C12H17ClO/c1-2-3-4-5-6-10-9-11(13)7-8-12(10)14/h7-9,14H,2-6H2,1H3
InChIKey: UUBASQRIVIRMIQ-UHFFFAOYSA-N
Consensus Reports
Chlorophenol compounds are on the Community Right-To-Know List.
Safety Profile
Questionable carcinogen with experimental neoplastigenic data by skin contact. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also CHLOROPHENOLS.
Specification
4-Chloro-2-hexylphenol , its CAS NO. is 18979-94-7, the synonyms are 2-Hexyl-4-chlorophenol ; 3-06-00-01993 (Beilstein Handbook Reference) ; BRN 3253860 ; Phenol, 4-chloro-2-hexyl- .