4-Phenyltoluene - CAS 644-08-6

Catalog:	BB032461
Product Name:	4-Phenyltoluene
CAS:	644-08-6
Synonyms:	1-methyl-4-phenylbenzene

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1-methyl-4-phenylbenzene
Description:	4-Phenyltoluene (CAS# 644-08-6) is used as a flavoring ingredient in the food industry. It also functions as a reagent used in organic and pharmaceutical synthesis.
Molecular Weight:	168.23
Molecular Formula:	C13H12
Canonical SMILES:	CC1=CC=C(C=C1)C2=CC=CC=C2
InChI:	InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:	ZZLCFHIKESPLTH-UHFFFAOYSA-N
Boiling Point:	267-268 ℃
Melting Point:	49 - 50 °C
Density:	1.015 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00008544
LogP:	3.66200
Vapor Pressure:	0.00642 [mmHg]

Publication Number	Title	Priority Date
CN-113061726-A	Method for safely and efficiently recycling lithium from waste batteries	20210315
CN-113045373-A	Synthesis method of 4- (3-butene-1-yl) -4 '-alkyl-1, 1' -biphenyl liquid crystal monomer	20210312
CN-112939716-A	Preparation method of biphenyl compound	20210201
CN-112886000-A	Pre-lithiated silica negative electrode material and preparation method and application thereof	20210105
CN-112619688-A	Preparation method and application of catalyst for one-step methylation of synthesis gas and biphenyl/4-methyl biphenyl	20201231

PMID	Publication Date	Title	Journal
21107368	20101201	An efficient organocatalytic method for constructing biaryls through aromatic C-H activation	Nature chemistry
20656494	20100815	Characterization of new PPARgamma agonists: benzimidazole derivatives-importance of positions 5 and 6, and computational studies on the binding mode	Bioorganic & medicinal chemistry
19902937	20091201	Structure-activity relationships for the degradation reaction of 1-beta-O-acyl glucuronides. Part 3: Electronic and steric descriptors predicting the reactivity of aralkyl carboxylic acid 1-beta-O-acyl glucuronides	Chemical research in toxicology
19968096	20091015	[GC x GC measurements of atmospheric aromatic compounds near a busy high-speed road in Beijing]	Huan jing ke xue= Huanjing kexue
19193390	20090301	Pyrolysis of permethrin and formation of precursors of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) under non-oxidative conditions	Chemosphere

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.093900383
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.093900383
Rotatable Bond Count:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6