4-Methylbiphenyl

HCID 12566CAS 644-08-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(-c2ccccc2)cc1
InChIKey
ZZLCFHIKESPLTH-UHFFFAOYSA-N
분자식
C13H12
평균 분자량
168.23 g/mol
단동위원소 질량
168.09390038

개요

4-Methylbiphenyl is a member of biphenyls.

이름 및 식별자

우선 이름
4-Methylbiphenyl
IUPAC
1-methyl-4-phenylbenzene
영어명
4-Phenyltoluene
분자식
C13H12
분자량
168.23

이름 및 동의어

4-Methylbiphenyl4-Phenyltoluene644-08-61-Methyl-4-phenylbenzenep-Methylbiphenyl1,1'-Biphenyl, 4-methyl-4-Methyldiphenylp-Phenyltoluenep-MethyldiphenylBiphenyl, 4-methyl-(4-Methylphenyl)benzeneFEMA 3186
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
4.6
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
13

실험 및 물리화학적 성질

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

4.63

4.63

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

0.00405 mg/mL at 25 °C

Insoluble in water

Soluble (in ethanol)

물리화학적 성질

녹는점
44 · 44-47 °C (lit.)
끓는 점
267 · 267-268 °C (lit.)
밀도
1 · 1,015 g/cm3
굴절률
1.5761 · 1.5761 (estimate)
FEMA
3186 · 3186 | 4-METHYLBIPHENYL
인화점
230 °F · >230 °F

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
DV5460000
HS 번호
29029090
safety_code
24/25-22
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

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

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

응용 분야

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

용도4-Phenyltoluene is used as a flavoring ingredient in the food industry. It also functions as a reagent used in organic and pharmaceutical synthesis.

제조 방법

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

상·하류 제품 정보

공급사50 곳

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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