CAS No.769-59-5,3-phenylbutan-2-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	769-59-5
Name:	3-phenylbutan-2-one
Article Data:	174

Formula:	C₁₀H₁₂O
Molecular Weight:	148.205
Synonyms:	2-Phenyl-3-butanone;3-Phenyl-2-butanone;Methyl 1-phenylethyl ketone;Methyl a-methylbenzyl ketone;Methyl a-phenylethyl ketone;NSC 33705;NSC 33953;a-Methyl-a-phenylacetone;
EINECS:	212-212-2
Density:	0.967 g/cm³
Boiling Point:	207.3 °C at 760 mmHg
Flash Point:	80.8 °C
PSA:	17.07000
LogP:	2.37910

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Specification

The CAS register number of 2-Butanone, 3-phenyl- is 769-59-5. It also can be called as 2-Phenyl-3-butanone and the IUPAC name about this chemical is 3-phenylbutan-2-one. The molecular formula about this chemical is C₁₀H₁₂O and the molecular weight is 148.20168.

Physical properties about 2-Butanone, 3-phenyl- are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.79; (3)ACD/LogD (pH 7.4): 1.79; (4)ACD/BCF (pH 5.5): 13.42; (5)ACD/BCF (pH 7.4): 13.42; (6)ACD/KOC (pH 5.5): 223.26; (7)ACD/KOC (pH 7.4): 223.26; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 45.1 cm³; (13)Molar Volume: 153.1 cm³; (14)Polarizability: 17.87x10^-24cm³; (15)Surface Tension: 33 dyne/cm; (16)Density: 0.967 g/cm³; (17)Flash Point: 80.8 °C; (18)Enthalpy of Vaporization: 44.36 kJ/mol; (19)Boiling Point: 207.3 °C at 760 mmHg; (20)Vapour Pressure: 0.227 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(c1ccccc1)C)C
(2)InChI: InChI=1/C10H12O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
(3)InChIKey: CVWMNAWLNRRPOL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H12O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
(5)Std. InChIKey: CVWMNAWLNRRPOL-UHFFFAOYSA-N