알파,알파,알파',알파'-테트라메틸-1,4-벤젠디메탄올

p-Bis(2-hydroxyisopropyl)benzene

HCID 18062CAS 2948-46-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(O)c1ccc(C(C)(C)O)cc1
InChIKey: LEARFTRDZQQTDN-UHFFFAOYSA-N
분자식: C12H18O2
평균 분자량: 194.27 g/mol
단동위원소 질량: 194.13067982

이름 및 식별자

우선 이름: p-Bis(2-hydroxyisopropyl)benzene
IUPAC: 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
현지명: 알파,알파,알파',알파'-테트라메틸-1,4-벤젠디메탄올
영어명: 1,4-BIS(1-METHYL-1-HYDROXYETHYL)BENZENE
분자식: C12H18O2
분자량: 194.27

이름 및 동의어

2948-46-11,4-Bis(2-hydroxy-2-propyl)benzenealpha,alpha,alpha',alpha'-Tetramethyl-1,4-benzenedimethanolP-BIS(2-HYDROXYISOPROPYL)BENZENEG785DRB5XHDTXSID7029247HSDB 5907p-Bis(alpha-hydroxyisopropyl)benzeneEINECS 220-964-8alpha,alpha'-Dihydroxy-p-diisopropylbenzenealpha,alpha,alpha',alpha'-Tetramethyl-p-xylylenediolalpha,alpha,alpha',alpha'-Tetramethyl-p-benzenedimethanol

이름 더 보기

알파,알파,알파',알파'-테트라메틸-1,4-벤젠디메탄올1,4-비스(1-메틸-1-히드록시에틸)벤젠Dicumyl alcoholTIMTEC-BB SBB0078061,4-Bis(2-propanol)benzene2,2'-(P-PHENYLENE)DI-2-PROPANOL1,4-bis(hydroxyisopropyl)benzene1,4-Di(2-hydroxy-2-propyl)benzene'-Dihydroxy-1,4-diisopropylbenzene1,4-Bis(2-hydroxyisopropyl)benzene

DTXCID3092471,4-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetramethyl-p-Xylene-alpha,alpha'-diol, alpha,alpha,alpha',alpha'-tetramethyl-1,4-Benzenedimethanol, alpha1,alpha1,alpha4,alpha4-tetramethyl-P-BIS(2-HYDROXYISOPROPYL)BENZENE [HSDB]RefChem:8579981,4Bis(2hydroxy2propyl)benzenepBis(alphahydroxyisopropyl)benzene

데이터베이스 식별자

CAS: 2948-46-1
PubChem CID: 18062
DTXSID: DTXSID7029247
ChEMBL: CHEMBL3187761
UNII: G785DRB5XH
EC Number: 220-964-8
Nikkaji: J28.515C

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 166

실험 및 물리화학적 성질

Chemical ClassesIndustrial compound

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesBoiling point

Physical DescriptionSolid; [MSDSonline]

물리화학적 성질

녹는점: 144 · 144-146 °C (lit.)
끓는 점: 167 · 167-168 °C/12 mmHg (lit.)
밀도: 1.001 · 1.0010 (rough estimate)
굴절률: 1.505 · 1.5050 (estimate)
인화점: 167 · 167-168°C/12mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 14.25 · 14.25±0.29(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 물에 약간 용해됨(2.1g/L)(25°C).
InChI: InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
InChIKey: LEARFTRDZQQTDN-UHFFFAOYSA-N
SMILES: C(O)(C)(C)C1C=CC(C(O)(C)C)=CC=1
EPA: 1 · 1,4-Bis(2-hydroxy-2-propyl)benzene (2948-46-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H315 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2906290090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
기존화학 물질: KE-33557
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids
유해 물질 데이터: 2948-46-1(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing Information1,4-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.4,.alpha.4-tetramethyl-: ACTIVE

응용 분야

용도1,4-Bis(2-hydroxyisopropyl)benzene is used as a pharmaceutical intermediate.

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

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

南京世洲生物科技有限公司025-85560043 15850508050 · [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]

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