ChemicalBook--->CAS DataBase List--->644-08-6

644-08-6

644-08-6 Structure

644-08-6 Structure
IdentificationMore
[Name]

4-Phenyltoluene
[CAS]

644-08-6
[Synonyms]

1-methyl-4-phenylbenzene
4-METHYL-1,1'-BIPHENYL
4-METHYLBIPHENYL
4-METHYLDIPHENYL
4-PHENYLTOLUENE
FEMA 3186
P-TOLYLBENZENE
1’-Biphenyl,4-methyl-1
4-methyl-1’-biphenyl
4-methyl-bipheny
Biphenyl, 4-methyl-
p-Methylbiphenyl
p-Methyldiphenyl
p-Phenyltoluene
4-METHYLBIPHENYL 98+%
2-METHYLBIPHENYL 98%
1,1-Biphenyl, 4-methyl-
PARA-METHYLDIPHENYL
4-Phenyltoluene, 98+%
(4-Methylphenyl)benzene
[EINECS(EC#)]

211-409-0
[Molecular Formula]

C13H12
[MDL Number]

MFCD00008544
[Molecular Weight]

168.23
[MOL File]

644-08-6.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

44-47 °C (lit.)
[Boiling point ]

267-268 °C (lit.)
[density ]

1,015 g/cm3
[FEMA ]

3186
[refractive index ]

1.5761 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in DMSO
[form ]

powder to crystal
[color ]

White to Orange to Green
[Odor]

at 1.00 % in dipropylene glycol. floral spicy wintergreen anise waxy mint
[biological source]

synthetic
[Odor Type]

spicy
[Water Solubility ]

Insoluble in water. Soluble in alcohol and ether, very soluble in organic solvents.
[Detection Methods]

GC
[JECFA Number]

1334
[BRN ]

1904468
[Major Application]

flavors and fragrances
[InChI]

1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
[InChIKey]

ZZLCFHIKESPLTH-UHFFFAOYSA-N
[SMILES]

Cc1ccc(cc1)-c2ccccc2
[LogP]

4.63
[CAS DataBase Reference]

644-08-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1,1'-Biphenyl, 4-methyl-(644-08-6)
[EPA Substance Registry System]

644-08-6(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[RTECS ]

DV5460000
[TSCA ]

Yes
[HS Code ]

29029090
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Phenyltoluene(644-08-6).msds
Hazard InformationBack Directory
[Description]

Prepared by catalytic reduction of p-phenyl benzyl alcohol obtained from p-phenyl benzoic acid.
[Chemical Properties]

p-Methyl diphenyl has a floral, spicy, wintergreen, anise, waxy, mint odor.
[Chemical Properties]

White crystalline powder
[Uses]

4-Phenyltoluene is used as a flavoring ingredient in the food industry. It also functions as a reagent used in organic and pharmaceutical synthesis.
[Definition]

ChEBI: 4-Methylbiphenyl is a member of biphenyls.
[Preparation]

By catalytic reduction of p-phenyl benzyl alcohol obtained from p-phenyl benzoic acid.
[Taste threshold values]

Taste characteristics at 12 ppm: spicy, estragole, fennel, floral and wintergreen
[Synthesis Reference(s)]

Journal of the American Chemical Society, 92, p. 6088, 1970 DOI: 10.1021/ja00723a061
Tetrahedron Letters, 37, p. 3857, 1996 DOI: 10.1016/0040-4039(96)00699-5
The Journal of Organic Chemistry, 50, p. 3104, 1985 DOI: 10.1021/jo00217a018
[Biochem/physiol Actions]

Taste at 12 ppm
Spectrum DetailBack Directory
[Spectrum Detail]

4-Phenyltoluene(644-08-6)1HNMR
4-Phenyltoluene(644-08-6)13CNMR
4-Phenyltoluene(644-08-6)IR1
4-Phenyltoluene(644-08-6)IR2
4-Phenyltoluene(644-08-6)Raman
4-Phenyltoluene(644-08-6)ESR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Methylbiphenyl, 98%(644-08-6)
[Sigma Aldrich]

644-08-6(sigmaaldrich)
[TCI AMERICA]

4-Methylbiphenyl,>98.0%(GC)(644-08-6)
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