Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-

HCID 3292100CAS 13595-25-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1
InChIKey: PVFQHGDIOXNKIC-UHFFFAOYSA-N
분자식: C24H26O2
평균 분자량: 346.5 g/mol
단동위원소 질량: 346.19328007

개요

See other relationships...

이름 및 식별자

우선 이름: Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-
IUPAC: 4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
영어명: 4,4'-(1,3-Phenylenediisopropylidene)bisphenol
분자식: C24H26O2
분자량: 346.46

이름 및 동의어

1,3-Bis[2-(4-hydroxyphenyl)-2-propyl]benzeneBisphenol MPhenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-EC 428-970-44,4'-(1,3-Phenylenediisopropylidene)bisphenol1,3-Bis(2-(4-hydroxyphenyl)-2-propyl)benzene4,4'-(1,3-phenylene-bis(1-methylethylidene))bis-phenolPhenol, 4,4'-(1,3-phenylenebis(1-methylethylidene))bis-Phenol, 4,4'-(m-phenylenediisopropylidene)diRefChem:860923603-937-913595-25-0

이름 더 보기

Bisphenol?M(BP-M)Bisphenol M SolutionC10655930 BisphenoLMLABOTEST-BB LT00159392Fampridine Impurity 19Bisphenol M in acetonitrile1,3-BIS(4-HYDROXYCUMYL)BENZENEBisphenol M@10 mg/mL in Methanol

MFCD001346884,4-(1,3-PHENYLENEDIISOPROPYLIDENE)BISPHENOL4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenolSCHEMBL269684-(2-{3-[2-(4-HYDROXYPHENYL)PROPAN-2-YL]PHENYL}PROPAN-2-YL)PHENOLDTXSID7065548US9688816, K1,3-bis[1-methyl-1-(4-hydroxyphenyl)ethyl]benzene

데이터베이스 식별자

CAS: 13595-25-0
PubChem CID: 3292100
DTXSID: DTXSID7065548
ChEMBL: CHEMBL5920312
UNII: P9VL9VLK8V
EC Number: 603-937-9
Nikkaji: J105.959I

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 26
형식 전하: 0
복잡도: 399

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 135 · 135-139 °C (lit.)
끓는 점: 495.9 · 495.9±35.0 °C(Predicted)
밀도: 1.107 · 1.107±0.06 g/cm3(Predicted)
증기압: 0.001 Pa · 0.001Pa at 25℃
용해도: 메탄올에 용해됨
산도 계수 (pKa): 10.31 · 10.31±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3
InChIKey: PVFQHGDIOXNKIC-UHFFFAOYSA-N
SMILES: C1(C(C2=CC=C(O)C=C2)(C)C)=CC=CC(C(C2=CC=C(O)C=C2)(C)C)=C1
LogP: 4.3 at · 4.3 at 40℃
EPA: 4 · Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis- (13595-25-0)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

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)

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and Categories · 3건

Skin Irrit. 2 (100%)

Reproductive toxicity - category 2

Repr. 2

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3077 9 / PGIII
HS 번호: 29072990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: 2015-3-6845
Hazard Classifications: Aquatic Chronic 2Repr. 2Skin Sens. 1
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-: ACTIVE

응용 분야

일반 설명Bisphenol M is a bisphenol analog, used in a variety of industrial applications, such as the synthesis of polycarbonate and epoxy resins. It is also used in electronics, toys, food containers, bottles, papers, medical equipment, etc.

상·하류 제품 정보

상류 원료

알파,ALPHA'-DIHYDROXY-1,3-DIISOPROPYLBENZENE 페놀

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

연결된 노트

불러오는 중…