1-Hydroxy-3-phenylpropan-2-one supplier

Name
1-HYDROXY-3-PHENYLPROPAN-2-ONE
EINECS
CAS No. 4982-08-5
Article Data29
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point 47-48 °C
Formula C₉H₁₀O₂
Boiling Point 262.602 °C at 760 mmHg
Molecular Weight 150.177
Flash Point 109.019 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Hydroxy-3-phenylacetone;3-Hydroxy-1-phenyl-2-propanone;Benzyl hydroxymethyl ketone;
PSA 37.30000
LogP 0.79050

1-Hydroxy-3-phenylpropan-2-one Specification

The 1-Hydroxy-3-phenylpropan-2-one, with the CAS registry number 4982-08-5, is also known as 1-Hydroxy-3-phenylacetone. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.17. What's more, its systematic name is 1-Hydroxy-3-phenyl-propan-2-one.

Physical properties of 1-Hydroxy-3-phenylpropan-2-one are: (1)ACD/LogP: 1.104; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.10; (4)ACD/LogD (pH 7.4): 1.10; (5)ACD/BCF (pH 5.5): 4.07; (6)ACD/BCF (pH 7.4): 4.07; (7)ACD/KOC (pH 5.5): 95.01; (8)ACD/KOC (pH 7.4): 95.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 41.999 cm³; (15)Molar Volume: 133.383 cm³; (16)Polarizability: 16.65×10^-24cm³; (17)Surface Tension: 44.99 dyne/cm; (18)Density: 1.126 g/cm³; (19)Flash Point: 109.019 °C; (20)Enthalpy of Vaporization: 52.865 kJ/mol; (21)Boiling Point: 262.602 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cc1ccccc1)CO
(2)Std. InChI: InChI=1S/C9H10O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
(3)Std. InChIKey: QLCZRWKIQPLYFS-UHFFFAOYSA-N

Product Name

1-HYDROXY-3-PHENYLPROPAN-2-ONE

1-Hydroxy-3-phenylpropan-2-one Specification

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