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50992-43-3

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Basic Information
CAS No.: 50992-43-3
Name: 4-chloro-2-isopropyl-m-cresol
Molecular Structure:
Molecular Structure of 50992-43-3 (4-chloro-2-isopropyl-m-cresol)
Formula: C10H13ClO
Molecular Weight: 184.666
Synonyms: 4-Chloro-2-isopropyl-3-methylphenol;4-Chloro-3-methyl-2-isopropylphenol;4-Chloro-5-methyl-6-isopropylphenol;
EINECS: 256-898-1
Density: 1.111 g/cm3
Boiling Point: 258.1 °C at 760 mmHg
Flash Point: 109.9 °C
PSA: 20.23000
LogP: 3.47740
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Specification

The CAS register number of Phenol,4-chloro-3-methyl-2-(1-methylethyl)- is 50992-43-3. It also can be called as 4-Chloro-2-isopropyl-3-methylphenol and the IUPAC name about this chemical is 4-chloro-3-methyl-2-propan-2-ylphenol. The molecular formula about this chemical is C10H13ClO and the molecular weight is 184.66262.

Physical properties about Phenol,4-chloro-3-methyl-2-(1-methylethyl)- are: (1)ACD/LogP: 4.23; (2)ACD/LogD (pH 5.5): 4.22; (3)ACD/LogD (pH 7.4): 4.22; (4)ACD/BCF (pH 5.5): 956.63; (5)ACD/BCF (pH 7.4): 955.01; (6)ACD/KOC (pH 5.5): 4733.85; (7)ACD/KOC (pH 7.4): 4725.83; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 52.03 cm3; (14)Molar Volume: 166.1 cm3; (15)Polarizability: 20.63x10-24cm3; (16)Surface Tension: 37.3 dyne/cm; (17)Density: 1.111 g/cm3; (18)Flash Point: 109.9 °C; (19)Enthalpy of Vaporization: 51.57 kJ/mol; (20)Boiling Point: 258.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00869 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(O)c(c1C)C(C)C
(2)InChI: InChI=1/C10H13ClO/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-6,12H,1-3H3
(3)InChIKey: JSOXHHYKGWBWGR-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H13ClO/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-6,12H,1-3H3
(5)Std. InChIKey: JSOXHHYKGWBWGR-UHFFFAOYSA-N