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4-Methylbiphenyl

4-Methylbiphenyl structure

CAS No:
644-08-6
Formula:
C13H12
Chemical Name:
4-Methylbiphenyl
Synonyms:
1,1′-Biphenyl,4-methyl-;Biphenyl,4-methyl-;4-Methyl-1,1′-biphenyl;4-Methylbiphenyl;4-Methyldiphenyl;p-Methylbiphenyl;p-Methyldiphenyl;p-Phenyltoluene;4-Phenyltoluene;(4-Methylphenyl)benzene;1-Methyl-4-phenylbenzene;NSC 407669;p-Methylphenyl benzene
Categories:
Analytical Chemistry > Standard

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Description

4-Methylbiphenyl is an endogenous metabolite.

Solid|White solid

4-Methylbiphenyl is a member of biphenyls.

4-Methylbiphenyl Basic Attributes

Molecular Weight：

168.23

Exact Mass：

168.23

BRN：

1904468

EC Number：

211-409-0

UNII：

13J700766D

NSC Number：

407669

DSSTox ID：

DTXSID4047177

HScode：

2902909090

Characteristics

PSA：

XLogP3：

4.6

Appearance：

Solid

Density：

1.0±0.1 g/cm3

Melting Point：

49.5 °C

Boiling Point：

267.5 °C

Flash Point：

>230 °F

Refractive Index：

1.565

Water Solubility：

Insoluble in water. soluble in alcohol and ether, very soluble in organic solvents.

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25-22

RTECS Number：

DV5460000

Drug Information

Biological Half-Life：

38.00 Days

4-Methylbiphenyl Use and Manufacturing

Manufacturing Info：

1,1'-Biphenyl, 4-methyl-: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:168.23
XLogP3:4.6
Rotatable Bond Count:1
Exact Mass:168.093900383
Monoisotopic Mass:168.093900383
Heavy Atom Count:13
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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