1-(P-하이드록시페닐)1-페닐에탄

4-(1-Phenylethyl)phenol

HCID 94763

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1988-89-2
표준 SMILES: CC(c1ccccc1)c1ccc(O)cc1
InChIKey: XHASMJXNUHCHBL-UHFFFAOYSA-N
분자식: C14H14O
평균 분자량: 198.26 g/mol
단동위원소 질량: 198.10446507

이름 및 식별자

우선 이름: 4-(1-Phenylethyl)phenol
IUPAC: 4-(1-phenylethyl)phenol
현지명: 1-(P-하이드록시페닐)1-페닐에탄
영어명: 1-(p-Hydroxyphenyl)1-phenylethane
분자식: C14H14O
분자량: 198.26

이름 및 동의어

4-(1-Phenylethyl)phenol1988-89-2Phenol, 4-(1-phenylethyl)-Styrolfenol4-(Phenylethylidene)phenolp-(alpha-Methylbenzyl)phenol4-(alpha-Methylbenzyl)phenolp-(1-Phenylethyl)phenolStyrolfenol [Czech]NSC 18591-(4-Hydroxyphenyl)-1-phenylethane1-Phenyl-1-(4-hydroxyphenyl)ethane

이름 더 보기

1-(P-하이드록시페닐)1-페닐에탄Ai3-08262UNII:4G5CEI3415α-Methylbenzyl-p-phenolp-(α-Methylbenzyl)phenol4-(α-Methylbenzyl)phenol4-(1-PHENYL-ETHYL)-PHENOLPhenol,4-(1-phenylethyl)-

4-(1-Fenylethyl)fenolPhenol, p-(.alpha.-methylbenzyl)-NSC 605864-(.alpha.-Methylbenzyl)phenol4-(1-Fenylethyl)fenol [Czech]Phenol, p-(alpha-methylbenzyl)-EINECS 217-864-1p-(.alpha.-Methylbenzyl)phenol

데이터베이스 식별자

CAS: 1988-89-2
PubChem CID: 94763
DTXSID: DTXSID20862809
UNII: 4G5CEI3415
EC Number: 217-864-1
Nikkaji: J2.137G

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 176

실험 및 물리화학적 성질

Chemical ClassesAlkylphenol

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 64 °C · 64 °C
끓는 점: 295.58 °C · 295.58°C (rough estimate)
밀도: 1.0074 · 1.0074 (rough estimate)
굴절률: 1.5381 · 1.5381 (estimate)
산도 계수 (pKa): 10.42 · 10.42±0.10(Predicted)
InChI: InChI=1S/C14H14O/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11,15H,1H3
InChIKey: XHASMJXNUHCHBL-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C(C2=CC=CC=C2)C)C=C1
EPA: 4 · Phenol, 4-(1-phenylethyl)- (1988-89-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (100%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4-(1-phenylethyl)-: INACTIVE

공급사18 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

河南东元化工科技有限公司16696119288 · [email protected]

江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]

成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]

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