1-(4-Chlorophenyl)-2-methyl-2-propanol supplier

Name
1-(4-Chlorophenyl)-2-methyl-2-propanol
EINECS 226-791-4
CAS No. 5468-97-3
Article Data15
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point 34°C
Formula C₁₀H₁₃ClO
Boiling Point 263.2 °C at 760 mmHg
Molecular Weight 184.666
Flash Point 113 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenethylalcohol, p-chloro-a,a-dimethyl- (6CI,7CI,8CI);1-(4-Chlorophenyl)-2-methyl-2-propanol;1-(p-Chlorophenyl)-2-methyl-2-propanol;2-(4-Chlorophenyl)-1,1-dimethylethanol;NSC 15669;
PSA 20.23000
LogP 2.65340

1-(4-Chlorophenyl)-2-methyl-2-propanol Specification

The 1-(4-Chlorophenyl)-2-methyl-2-propanol, with the CAS registry number 5468-97-3, is also known as Benzeneethanol, 4-chloro-α,α-dimethyl-. Its EINECS registry number is 226-791-4. This chemical's molecular formula is C₁₀H₁₃ClO and molecular weight is 184.66. Its IUPAC name is called 1-(4-chlorophenyl)-2-methylpropan-2-ol.

Physical properties of 1-(4-Chlorophenyl)-2-methyl-2-propanol: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.92; (6)ACD/BCF (pH 7.4): 60.92; (7)ACD/KOC (pH 5.5): 659.38; (8)ACD/KOC (pH 7.4): 659.38; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 51.46 cm³; (14)Molar Volume: 164.7 cm³; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.12 g/cm³; (17)Flash Point: 113 °C; (18)Enthalpy of Vaporization: 52.94 kJ/mol; (19)Boiling Point: 263.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00524 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(CC1=CC=C(C=C1)Cl)O
(2)InChI: InChI=1S/C10H13ClO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
(3)InChIKey: WAAJRPRSQXYYAA-UHFFFAOYSA-N

Product Name

1-(4-Chlorophenyl)-2-methyl-2-propanol

1-(4-Chlorophenyl)-2-methyl-2-propanol Specification

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