1,2,3,4-Tetrahydro-1-naphthalenol (HCID 10723)

개요

structure in first source

이름 및 식별자

우선 이름: 1,2,3,4-Tetrahydro-1-naphthalenol
IUPAC: 1,2,3,4-tetrahydronaphthalen-1-ol
영어명: 1,2,3,4-Tetrahydro-1-naphthol
분자식: C10H12O
분자량: 148.2

이름 및 동의어

1,2,3,4-Tetrahydro-1-naphthalenolRefChem:772711,2,3,4-Tetrahydro-1-naphthol529-33-91,2,3,4-Tetrahydronaphthalen-1-olTetralin-1-ol1-Tetralolalpha-Tetralol1-Hydroxytetralin1-Naphthalenol, 1,2,3,4-tetrahydro-MFCD00001739.alpha.-Tetralol

이름 더 보기

α-TetralolA-TETRALOL1-Tetralinol(S)-Tetralin-1-ol(R)-Tetralin-1-ol

Tetrahydro-1-naphtholTetrahydro-1-naphthol (VAN)NSC 51721-NAPHTHOL, 1,2,3,4-TETRAHYDRO-EINECS 208-459-0DTXSID70271741,2,3,4-tetrahydro-1-naptholJ6.683D

데이터베이스 식별자

CAS: 529-33-9、5929-35-1
PubChem CID: 10723
DTXSID: DTXSID7027174
ChEMBL: CHEMBL357784
UNII: 87652943HP
EC Number: 208-459-0
Nikkaji: J6.683D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 28 · 28-32 °C
끓는 점: 102 · 102-104 °C2 mm Hg(lit.)
밀도: 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.564(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 5.09 g/L · 5.09g/L
산도 계수 (pKa): 14.33 · 14.33±0.20(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
Specific Gravity: 1.09 · 1.090
BRN: 2046227 · 2046227
화장품 원료 기능: 향수
InChI: 1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2
InChIKey: JAAJQSRLGAYGKZ-UHFFFAOYSA-N
SMILES: OC1CCCc2ccccc12
LogP: 1.98 · 1.980
NIST: 1 · 1-Naphthalenol, 1,2,3,4-tetrahydro-(529-33-9)
EPA: 1 · 1-Naphthalenol, 1,2,3,4-tetrahydro- (529-33-9)

화학적 성질

clear colourless to slightly brown viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.4% (1 of 72) of reports.

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17746

Hazard Classes and CategoriesAcute Tox. 4 (98.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: QL5075000
HS 번호: 29062900
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 22-24/25-37/39-26
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Naphthalenol, 1,2,3,4-tetrahydro-: ACTIVE

응용 분야 · 2건

용도1,2,3,4-Tetrahydro-1-naphthol was used as chiral probe to examine the role of three aromatic residues in enzyme-substrate interactions at the sulfuryl acceptor binding site of aryl sulfotransferase IV enzyme.

일반 설명(R)-(-)-enantiomer of 1,2,3,4-Tetrahydro-1-naphthol is a substrate for aryl sulfotransferase (AST) IV enzyme and (S)-(+)-1,2,3,4-tetrahydro-1-naphthol is a competitive inhibitor of AST IV-catalyzed sulfation of 1-naphthalenemethanol. It is the major urinary metabolite of tetralin.

상·하류 제품 정보

상류 원료

테트라히드로나프탈렌 [1,1'-Binaphthalene]-1,1'(2H,2'H)-diol, 3,3',4,4'-tetrahydro-테트랄린하이드로퍼옥사이드 1,2,3,4-Tetrahydro-2-naphthol 디하이드로나프탈렌

하류 제품

브로디파쿰 플로쿠마펜 쿠마테트랄릴 5,6,7,8-테트라히드로나프탈렌-1-카르복실산 8-BROMO-3,4-DIHYDRO-2H-나프탈렌-1-ONE (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol 5,6,7,8-테트라하이드로-1-나프톨 2,3,4,5-테트라히드로-1H-벤조[b]아제핀 1,2,3,4-Tetrahydro-1-naphthylamine 2,3-디하이드로-1,4-나프토퀴논 (S)-(+)-1,2,3,4-테트라하이드로-1-나프톨

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

연결된 노트

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1,2,3,4-Tetrahydro-1-naphthalenol

기본 정보

개요