1-Tetralone

HCID 10724CAS 29059-07-2

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCCc2ccccc21
InChIKey: XHLHPRDBBAGVEG-UHFFFAOYSA-N
Molecular formula: C10H10O
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.07316494

Names & identifiers

Preferred name: 1-Tetralone
IUPAC: 3,4-dihydro-2H-naphthalen-1-one
English name: 3,4-dihydronaphthalen-1-one
Molecular formula: C10H10O
Molecular weight: 146.1858

Names & synonyms

1-TETRALONE529-34-0alpha-Tetralone3,4-dihydronaphthalen-1(2H)-one1,2,3,4-Tetrahydronaphthalen-1-onetetralone3,4-Dihydro-1(2H)-naphthalenone1-Oxotetralin.alpha.-Tetralone1(2H)-Naphthalenone, 3,4-dihydro-NSC 51711,2,3,4-Tetrahydro-1-naphthalenone

Show more names

3,4-dihydronaphthalen-1-one

DTXSID2027175HSDB 5678EINECS 208-460-6BRN 06073746VT52A15HYAI3-19569NSC-5171DTXCID007175

Database identifiers

CAS: 29059-07-2、529-34-0
PubChem CID: 10724
DTXSID: DTXSID2027175
ChEMBL: CHEMBL193373
UNII: 6VT52A15HY
EC Number: 208-460-6、249-394-8
Nikkaji: J6.684B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 162

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

Density1.0988 @ 16 °C/4 °C

Color/FormLIQUID

SolubilityINSOL IN WATER

Flash Point · 2 items

129 °C

265 °F

Physicochemical properties

FDA UNII: 6 VT52A15HY · 6VT52A15HY

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 162 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 1(2H)-Naphthalenone, 3,4-dihydro-

Status: Active Update: 11-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20331

1,2,3,4-Tetrahydro-1-naphthalenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxicology

Environmental BiodegradationTHE BIODEGRADATION, BY ACTIVATED SLUDGE, OF LINEAR DODECYLBENZENESULFONATE TAGGED WITH (14)C ON THE SIDE CHAIN WAS STUDIED. DECOMPOSITION PRODUCTS DETERMINED AFTER DESULFONATION INCLUDED 1-TETRALONE.

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a solvent and intermediate; [HSDB]

SOLVENT AND INTERMEDIATE

General Manufacturing Information1(2H)-Naphthalenone, 3,4-dihydro-: ACTIVE

Applications

Uses3,4-Dihydro-1(2H)-naphthone is widely used in the field of medicinal chemistry and is often used as an organic intermediate in the preparation and synthesis of drugs or natural products.