4-メチルビフェニル

4-Methylbiphenyl

HCID 12566CAS 644-08-6
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1ccc(-c2ccccc2)cc1
InChIKey
ZZLCFHIKESPLTH-UHFFFAOYSA-N
分子式
C13H12
平均分子量
168.23 g/mol
単同位体質量
168.09390038

概要

4-Methylbiphenyl is a member of biphenyls.

名称と識別子

優先名称
4-Methylbiphenyl
IUPAC
1-methyl-4-phenylbenzene
現地名
4-メチルビフェニル
英語名
4-Phenyltoluene
分子式
C13H12
分子量
168.23

名称と別名

4-Methylbiphenyl4-Phenyltoluene644-08-61-Methyl-4-phenylbenzenep-Methylbiphenyl1,1'-Biphenyl, 4-methyl-4-Methyldiphenylp-Phenyltoluenep-MethyldiphenylBiphenyl, 4-methyl-(4-Methylphenyl)benzeneFEMA 3186
名称をさらに表示
4-メチルビフェニル4-メチル-1,1'-ビフェニル4'-メチル-1,1'-ビフェニル4-フェニルトルエン4'-メチルビフェニルp-トリルベンゼンp-フェニルトルエンp-トルイルベンゼンメチルビフェニル4-メチルビフェニル, IN ISOOCTANE (1000ΜG/ML)4-Methyl-1,1'-biphenyl4-Phenyltoluene 98%P-TOLYLBENZENE4-Phenyltoluen4-methyl-bipheny
Phenyltoluene, p-Methylphenylbenzene, p-FEMA No. 3186NSC 407669DTXSID4047177EINECS 211-409-0BRN 1904468NSC-407669

データベース識別子

CAS
644-08-6
PubChem CID
12566
DTXSID
DTXSID4047177
ChEMBL
CHEMBL3187976
ChEBI
CHEBI:88448
UNII
13J700766D
EC Number
211-409-0
Nikkaji
J2.382.522H、J36.116J

物性

構造計算による物性

XLogP
4.6
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
1
重原子数
13

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Hydrocarbons
PolymersPolycyclic aromatic hydrocarbon
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP · 2 件

4.63

4.63

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility · 3 件

0.00405 mg/mL at 25 °C

Insoluble in water

Soluble (in ethanol)

物理化学的性質

融点
44 · 44-47 °C (lit.)
沸点
267 · 267-268 °C (lit.)
比重(密度)
1 · 1,015 g/cm3
屈折率
1.5761 · 1.5761 (estimate)
FEMA
3186 · 3186 | 4-METHYLBIPHENYL
闪点
230 °F · >230 °F

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

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

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1,1'-Biphenyl, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Biphenyl, a neurotoxin and primary hepatotoxin.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
2
tsca
TSCA listed
rtecs
DV5460000
hs_code
29029090
化審法
(4)-15
safety_code
24/25-22

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 4 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1,1'-Biphenyl, 4-methyl-: ACTIVE

応用分野

説明Prepared by catalytic reduction of p-phenyl benzyl alcohol obtained from p-phenyl benzoic acid.

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

調製方法

製造方法By catalytic reduction of p-phenyl benzyl alcohol obtained from p-phenyl benzoic acid.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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