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

HCID 10747
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Substructure searchFind similar structures

Basic information

CAS
530-91-6
Standard SMILES
OC1CCc2ccccc2C1
InChIKey
JWQYZECMEPOAPF-UHFFFAOYSA-N
Molecular formula
C10H12O
Average molar mass
148.2 g/mol
Monoisotopic mass
148.088815

Overview

structure

Names & identifiers

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

Names & synonyms

1,2,3,4-Tetrahydro-2-naphthol530-91-62-HYDROXYTETRALINTetralol2-Tetralinol2-Hydroxytetralinebeta-Tetralol2-Naphthalenol, 1,2,3,4-tetrahydro-2-Naphthol, 1,2,3,4-tetrahydro-Ac-tetrahydro-beta-naphthol6AE2V413JINSC-5669
Show more names
2-TETRALOLB-TetralolTetralin-2-olAc-beta-tetralolTIMTEC-BB SBB008511
1,2,3,4-Tetrahydro-2-naphthalenolDTXSID60870589NSC-44875RefChem:473525DTXCID90818297208-497-81,2,3,4-Tetrahydronaphthalen-2-olMFCD00045575

Database identifiers

CAS
530-91-6
PubChem CID
10747
DTXSID
DTXSID60870589
UNII
6AE2V413JI
EC Number
208-497-8
Nikkaji
J61.684B

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
Color/FormLIQUID
Boiling Point140 °C @ 12 MM HG
Melting Point15.5 °C
Physical DescriptionLiquid; [Merck Index]
Other Experimental PropertiesCRYSTALLIZES ON PROLONGED STORAGE @ -50 DEG AND THEN @ -15 °C

Physicochemical properties

Melting point
15.5 °C · 15.5 °C
Boiling point
140 °C · 140 °C (12 mmHg)
Density
0.9332 · 0.9332 (rough estimate)
refractive index
1.562 · 1.562-1.564
storage temp.
Sealed in dry,Room Temperature
pka
15.04 · 15.04±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryEmergency treatment: See Naphthalene. A metabolite of tetralin in rabbits; [HSDB] LD50 (rat) = 1 mL/kg; [RTECS] An irritant; [MSDSonline] See Tetralin.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
WGK 3
hs_code
29071590
Toxicity
LD50 orally in rats: 1.0 ml/kg (Draize)
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 2 items

BETA-TETRALOL IS A METABOLITE OF TETRALIN IN RABBITS.

THE MAJOR METABOLITE OF BETA-TETRALOL IN RABBITS IS BETA-TETRALOL GLUCURONIDE.

Uses & manufacturing

Methods of ManufacturingPREPD BY HYDROGENATION OF 2-NAPHTHOL IN THE PRESENCE OF PALLADIUM CATALYST: FOREMAN, STORK, US PATENT 2,526,859 (1950 TO LAKESIDE LABS); BY REDUCTION OF 2-NAPHTHOL WITH SODIUM: HUECKEL ET AL; ANN 645, 162 (1961).

Upstream & downstream products

Suppliers58 total

上海康恩博医药科技有限公司17510465506 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

27 records
New reaction record

Compound notes

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