CAS No.7403-42-1,4-METHYL-4-PHENYLPENTAN-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7403-42-1
Name:	4-METHYL-4-PHENYLPENTAN-2-ONE
Article Data:	41

Formula:	C₁₂H₁₆O
Molecular Weight:	176.258
Synonyms:	2-Methyl-2-phenylpentan-4-one;4-Methyl-4-phenyl-2-pentanone;4-Phenyl-4-methyl-2-pentanone;Methyl2-methyl-2-phenylpropyl ketone;NSC 200696;NSC 54368;Vetikon;4-Methyl-4-phenylpentan-2-one;4,4-Dimethyl-4-phenyl-2-butanone;
EINECS:	231-007-9
Density:	0.946 g/cm³
Boiling Point:	252 °C at 760 mmHg
Flash Point:	93.6 °C
Solubility:	810mg/L at 20℃

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Specification

The 2-Pentanone,4-methyl-4-phenyl-, with the CAS registry number 7403-42-1, is also known as 4,4-Dimethyl-4-phenyl-2-butanone. Its EINECS number is 231-007-9. This chemical's molecular formula is C₁₂H₁₆O and molecular weight is 176.25. What's more, its systematic name is 4-Methyl-4-phenylpentan-2-one.

Physical properties of 2-Pentanone,4-methyl-4-phenyl- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.13; (6)ACD/BCF (pH 7.4): 37.13; (7)ACD/KOC (pH 5.5): 462.59; (8)ACD/KOC (pH 7.4): 462.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 53.93 cm³; (15)Molar Volume: 186.2 cm³; (16)Polarizability: 21.38×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 93.6 °C; (20)Enthalpy of Vaporization: 48.93 kJ/mol; (21)Boiling Point: 252 °C at 760 mmHg; (22)Vapour Pressure: 0.0198 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-pent-3-en-2-one at the temperature of -78 °C. This reaction will need reagent Ph₂Cu(CN)Li₂ and solvent diethyl ether with the reaction time of 1 hour. The yield is about 98%.

2-Pentanone,4-methyl-4-phenyl- can be prepared by 4-methyl-pent-3-en-2-one at the temperature of -78 °C

Uses of 2-Pentanone,4-methyl-4-phenyl-: it can be used to produce 1,1-dicyano-2,4-dimethyl-4-phenylpent-1-ene. It will need reagents glacical acetic acid, ammonium acetate and solvent benzene. The yield is about 48%.

2-Pentanone,4-methyl-4-phenyl- can be used to produce 1,1-dicyano-2,4-dimethyl-4-phenylpent-1-ene

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC(C)(C)C1=CC=CC=C1
(2)InChI: InChI=1S/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
(3)InChIKey: PFDVPCSDZXZDMF-UHFFFAOYSA-N