Ethanone,1-(2-hydroxy-3-methoxyphenyl)- supplier

Name
1-(2-hydroxy-3-methoxy-phenyl)ethanone
EINECS
CAS No. 703-98-0
Article Data18
CAS DataBase
Density 1.158 g/cm³
Solubility
Melting Point 54 °C
Formula C₉H₁₀O₃
Boiling Point 247.2 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 95.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Hydroxy-3-methoxyphenyl)ethanone;2'-Hydroxy-3'-methoxyacetophenone;NSC 46634;Acetophenone,2'-hydroxy-3'-methoxy- (7CI,8CI);1-(2-hydroxy-3-methoxyphenyl)ethanone;ethanone, 1-(2-hydroxy-3-methoxyphenyl)-;
PSA 46.53000
LogP 1.60340

Ethanone,1-(2-hydroxy-3-methoxyphenyl)- Specification

The Ethanone,1-(2-hydroxy-3-methoxyphenyl)-, with the CAS registry number 703-98-0, has the systematic name and IUPAC name of 1-(2-hydroxy-3-methoxyphenyl)ethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₁₀O₃.

The characteristics of Ethanone,1-(2-hydroxy-3-methoxyphenyl)- are as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.22; (6)ACD/BCF (pH 7.4): 17.19; (7)ACD/KOC (pH 5.5): 266.94; (8)ACD/KOC (pH 7.4): 266.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.84 cm³; (15)Molar Volume: 143.3 cm³; (16)Polarizability: 17.77×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.158 g/cm³; (19)Flash Point: 95.1 °C; (20)Enthalpy of Vaporization: 50.39 kJ/mol; (21)Boiling Point: 247.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0166 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cccc(OC)c1O)C
(2)InChI: InChI=1/C9H10O3/c1-6(10)7-4-3-5-8(12-2)9(7)11/h3-5,11H,1-2H3
(3)InChIKey: VZEOJJIAYZCDPI-UHFFFAOYAG

Product Name

1-(2-hydroxy-3-methoxy-phenyl)ethanone

Ethanone,1-(2-hydroxy-3-methoxyphenyl)- Specification

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