Phenol, 4-(2,2-dimethylpropyl)- supplier

Name
4-(2,2-DIMETHYLPROPYL)-PHENOL
EINECS
CAS No. 2316-92-9
Article Data1
CAS DataBase
Density 0.964 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆O
Boiling Point 250.9 °C at 760 mmHg
Molecular Weight 164.247
Flash Point 121.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,p-neopentyl- (7CI,8CI);4-(2,2-Dimethylpropyl)phenol;
PSA 20.23000
LogP 2.98080

Phenol, 4-(2,2-dimethylpropyl)- Specification

The CAS register number of Phenol, 4-(2,2-dimethylpropyl)- is 2316-92-9. It also can be called as 4-(2,2-Dimethylpropyl)-phenol and the IUPAC name about this chemical is 4-(2,2-dimethylpropyl)phenol. The molecular formula about this chemical is C₁₁H₁₆O and the molecular weight is 164.24.

Physical properties about Phenol, 4-(2,2-dimethylpropyl)- are: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.7; (4)ACD/BCF (pH 5.5): 383.03; (5)ACD/BCF (pH 7.4): 382.45; (6)ACD/KOC (pH 5.5): 2458.56; (7)ACD/KOC (pH 7.4): 2454.85; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23Å²; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 51.54 cm³; (14)Molar Volume: 170.2 cm³; (15)Polarizability: 20.43x10^-24cm³; (16)Surface Tension: 34.7 dyne/cm; (17)Enthalpy of Vaporization: 50.79 kJ/mol; (18)Boiling Point: 250.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0133 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)CC(C)(C)C
(2)InChI: InChI=1/C11H16O/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3
(3)InChIKey: ICTHGQKQYABWMV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H16O/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3
(5)Std. InChIKey: ICTHGQKQYABWMV-UHFFFAOYSA-N

Product Name

4-(2,2-DIMETHYLPROPYL)-PHENOL

Phenol, 4-(2,2-dimethylpropyl)- Specification

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