Product Name

  • Name

    1-(3-hydroxy-4-methoxyphenyl)-3-methylbutan-1-one

  • EINECS
  • CAS No. 99783-85-4
  • Density 1.077 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H16O3
  • Boiling Point 356.7 °C at 760 mmHg
  • Molecular Weight 208.257
  • Flash Point 135.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 99783-85-4 (1-(3-hydroxy-4-methoxyphenyl)-3-methylbutan-1-one)
  • Hazard Symbols
  • Synonyms 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-butan-1-one
  • PSA 46.53000
  • LogP 2.62960

1-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-butanone Specification

This chemical is an organic compound with the formula C12H16O3. The systematic name of this chemical is 1-(3-hydroxy-4-methoxyphenyl)-3-methylbutan-1-one. With the CAS registry number 99783-85-4, it is also nmaed as 1-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-butanone. In addition, the molecular weight is 208.25.

The other characteristics of 1-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-butanone can be summarized as: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.37; (6)ACD/BCF (pH 7.4): 61.25; (7)ACD/KOC (pH 5.5): 670.52; (8)ACD/KOC (pH 7.4): 658.51; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 58.69 cm3; (15)Molar Volume: 193.2 cm3; (16)Polarizability: 23.26×10-24 cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.077 g/cm3; (19)Flash Point: 135.5 °C; (20)Enthalpy of Vaporization: 62.58 kJ/mol; (21)Boiling Point: 356.7 °C at 760 mmHg; (22)Vapour Pressure: 1.39E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(c1ccc(OC)c(O)c1)CC(C)C
2. InChI:InChI=1/C12H16O3/c1-8(2)6-10(13)9-4-5-12(15-3)11(14)7-9/h4-5,7-8,14H,6H2,1-3H3 
3. InChIKey:OSIWAIIBXIPDIB-UHFFFAOYAE
4. Std. InChI:InChI=1S/C12H16O3/c1-8(2)6-10(13)9-4-5-12(15-3)11(14)7-9/h4-5,7-8,14H,6H2,1-3H3 
5. Std. InChIKey:OSIWAIIBXIPDIB-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View