3-(4-Acetyl-2-hydroxy-phenyl)-3-methoxy-butan-2-one supplier

Name
3-(4-acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one
EINECS
CAS No. 136796-00-4
Article Data1
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆O₄
Boiling Point 401.5 °C at 760 mmHg
Molecular Weight 236.26
Flash Point 151.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
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3-(4-Acetyl-2-hydroxy-phenyl)-3-methoxy-butan-2-one Specification

The IUPAC name of this chemical is 3-(4-Acetyl-2-hydroxy-phenyl)-3-methoxy-butan-2-one. The CAS registry number is 136796-00-4. In addition, the molecular formula is C₁₃H₁₆O₄ and the molecular weight is 236.26. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 3-(4-Acetyl-2-hydroxy-phenyl)-3-methoxy-butan-2-one are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 1.01; (4)ACD/BCF (pH 5.5): 3.68; (5)ACD/BCF (pH 7.4): 3.39; (6)ACD/KOC (pH 5.5): 88.48; (7)ACD/KOC (pH 7.4): 81.45; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 62.95 cm³; (14)Molar Volume: 206 cm³; (15)Polarizability: 24.95 ×10^-24cm³; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.146 g/cm³; (18)Flash Point: 151.6 °C; (19)Enthalpy of Vaporization: 67.8 kJ/mol; (20)Boiling Point: 401.5 °C at 760 mmHg; (21)Vapour Pressure: 5.07E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(OC)(c1ccc(cc1O)C(=O)C)C)C
(2)InChI: InChI=1/C13H16O4/c1-8(14)10-5-6-11(12(16)7-10)13(3,17-4)9(2)15/h5-7,16H,1-4H3
(3)InChIKey: ALJDYZBMOUETDA-UHFFFAOYAA

Product Name

3-(4-acetyl-2-hydroxyphenyl)-3-methoxybutan-2-one

3-(4-Acetyl-2-hydroxy-phenyl)-3-methoxy-butan-2-one Specification

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