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

HCID 10723
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Basic information

CAS
529-33-9
Standard SMILES
OC1CCCc2ccccc21
InChIKey
JAAJQSRLGAYGKZ-UHFFFAOYSA-N
Molecular formula
C10H12O
Average molar mass
148.2 g/mol
Monoisotopic mass
148.088815

Overview

structure in first source

Names & identifiers

Preferred name
1,2,3,4-Tetrahydro-1-naphthalenol
IUPAC
1,2,3,4-tetrahydronaphthalen-1-ol
English name
1,2,3,4-Tetrahydro-1-naphthol
Molecular formula
C10H12O
Molecular weight
148.2

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
28 · 28-32 °C
Boiling point
102 · 102-104 °C2 mm Hg(lit.)
Density
1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.564(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory InformationStatus: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17746
Hazard Classes and CategoriesAcute Tox. 4 (98.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
QL5075000
hs_code
29062900
risk_code
22-36/37/38

Chemistry & industry

Uses & manufacturing

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

Uses1,2,3,4-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.

General Description(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.

Upstream & downstream products

Suppliers100 total

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]

Related reactions

31 records
New reaction record

Compound notes

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