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7495-77-4

Basic Information
CAS No.: 7495-77-4
Name: 4-ISOPROPOXYPHENOL
Article Data: 22
Molecular Structure:
Molecular Structure of 7495-77-4 (4-ISOPROPOXYPHENOL)
Formula: C9H12O2
Molecular Weight: 152.193
Synonyms: Phenol,p-isopropoxy- (7CI,8CI);p-Isopropoxyphenol;
EINECS: 231-346-2
Density: 1.047 g/cm3
Boiling Point: 254.2 °C at 760 mmHg
Flash Point: 118.2 °C
Risk Codes: 36
Safety: 26
PSA: 29.46000
LogP: 2.17940
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Specification

The Phenol, 4-(1-methylethoxy)-, with the CAS registry number of 7495-77-4, is also known as p-Isopropoxyphenol. Its EINECS registry number is 231-346-2. This chemical's molecular formula is C9H12O2 and molecular weight is 152.19038. What's more, its IUPAC name is 4-Propan-2-yloxyphenol.

Physical properties about Phenol, 4-(1-methylethoxy)- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.1; (6)ACD/BCF (pH 7.4): 27.09; (7)ACD/KOC (pH 5.5): 369.24; (8)ACD/KOC (pH 7.4): 369.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.03 cm3; (15)Molar Volume: 145.2 cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 1.047 g/cm3; (18)Flash Point: 118.2 °C; (19)Enthalpy of Vaporization: 51.15 kJ/mol; (20)Boiling Point: 254.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0109 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(O)cc1)C(C)C
(2) InChI: InChI=1/C9H12O2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,10H,1-2H3
(3) InChIKey: QEYQMWSESURNPP-UHFFFAOYAF