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938-45-4

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Basic Information
CAS No.: 938-45-4
Name: 2'-HYDROXY-5'-METHYLPROPIOPHENONE 95
Article Data: 27
Molecular Structure:
Molecular Structure of 938-45-4 (2'-HYDROXY-5'-METHYLPROPIOPHENONE 95)
Formula: C10H12O2
Molecular Weight: 164.204
Synonyms: Propiophenone,2'-hydroxy-5'-methyl- (6CI,7CI,8CI);2'-Hydroxy-5'-methylpropiophenone;2-Propionyl-p-cresol;
EINECS: 213-342-2
Density: 1.079 g/cm3
Melting Point: 2°C(lit.)
Boiling Point: 260.4 °C at 760 mmHg
Flash Point: 108 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22
PSA: 37.30000
LogP: 2.29330
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Specification

The 1-Propanone,1-(2-hydroxy-5-methylphenyl)-, with the CAS registry number 938-45-4, is also known as 2'-Hydroxy-5'-methylpropiophenone. Its EINECS registry number is 213-342-2. This chemical's molecular formula is C10H12O2 and molecular weight is 164.20108. Its IUPAC name is called 1-(2-hydroxy-5-methylphenyl)propan-1-one. When you are using this chemical, please be cautious about it. This chemical may cause damage to health. It is harmful if swallowed.

Physical properties of 1-Propanone,1-(2-hydroxy-5-methylphenyl)-: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 103.75; (5)ACD/BCF (pH 7.4): 96.95; (6)ACD/KOC (pH 5.5): 965.03; (7)ACD/KOC (pH 7.4): 901.77; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 47.62 cm3; (13)Molar Volume: 152.1 cm3; (14)Surface Tension: 40.9 dyne/cm; (15)Density: 1.079 g/cm3; (16)Flash Point: 108 °C; (17)Enthalpy of Vaporization: 51.82 kJ/mol; (18)Boiling Point: 260.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00755 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)C1=C(C=CC(=C1)C)O
(2)InChI: InChI=1S/C10H12O2/c1-3-9(11)8-6-7(2)4-5-10(8)12/h4-6,12H,3H2,1-2H3
(3)InChIKey: CXZJBPYDVCLMFX-UHFFFAOYSA-N