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Name
M-METHYLPROPIOPHENONE
- EINECS 257-405-2
- CAS No. 51772-30-6
- Article Data34
- CAS DataBase
- Density 0.963 g/cm3
- Solubility
- Melting Point -4.4°C
- Formula C10H12O
- Boiling Point 230.3 °C at 760 mmHg
- Molecular Weight 148.205
- Flash Point 98.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Propiophenone,3'-methyl- (7CI);3'-Methylpropiophenone;m-Methylpropiophenone;
- PSA 17.07000
- LogP 2.58770
3'-Methylpropiophenone Specification
The 3'-Methylpropiophenone with the CAS number 51772-30-6 is also called 1-Propanone,1-(3-methylphenyl)-. Both the systematic name and IUPAC name are 1-(3-methylphenyl)propan-1-one. Its EINECS registry number is 257-405-2. The molecular formula is C10H12O.
The properties of the chemical are: (1)ACD/LogP: 2.66; (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): 61.49; (6)ACD/BCF (pH 7.4): 61.49; (7)ACD/KOC (pH 5.5): 663.84; (8)ACD/KOC (pH 7.4): 663.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 45.73 cm3; (15)Molar Volume: 153.7 cm3; (16)Polarizability: 18.13×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Enthalpy of Vaporization: 46.7 kJ/mol ; (19)Vapour Pressure: 0.0662 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(ccc1)C)CC
(2)InChI: InChI=1/C10H12O/c1-3-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
(3)InChIKey: QHVNQIJBHWOZRJ-UHFFFAOYAI
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