5,8-Dimethoxy-2-tetralone

HCID 99595

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 37464-90-7
Standard SMILES: COc1ccc(OC)c2c1CCC(=O)C2
InChIKey: KZNQBPNFLGQMQR-UHFFFAOYSA-N
Molecular formula: C12H14O3
Average molar mass: 206.24 g/mol
Monoisotopic mass: 206.09429431

Names & identifiers

Preferred name: 5,8-Dimethoxy-2-tetralone
IUPAC: 5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-one
English name: 5,8-Dimethoxy-2-tetralone
Molecular formula: C12H14O3
Molecular weight: 206.24

Names & synonyms

37464-90-75,8-Dimethoxy-2-tetraloneELL83X9LXJ3,4-Dihydro-5,8-dimethoxynaphthalen-2(1H)-one3,4-dihydro-5,8-dimethoxy-2(1H)-naphthalenoneNSC-246148DTXSID10190901NSC 2461485,8-DIMETHOXY-.BETA.-TETRALONERefChem:1014485,8-Dimethoxy-beta-tetraloneDTXCID10113392

Show more names

8-diMethoxy-1,4-DiMethoxy-6-tetralone

5,8-dimethoxy-3,4-dihydronaphthalen-2(1H)-one5,8-dimethoxyl-2-tetralone5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-oneMFCD040385965,8-dimethoxytetralin-2-one2(1H)-Naphthalenone, 3,4-dihydro-5,8-dimethoxy-EINECS 253-513-9NSC246148

Database identifiers

CAS: 37464-90-7
PubChem CID: 99595
DTXSID: DTXSID10190901
UNII: ELL83X9LXJ
EC Number: 253-513-9
Nikkaji: J261.182A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Physicochemical properties

storage temp.: 2 · 2-8°C, sealed storage, away from moisture
solubility: Chloroform
form: Solid
color: Brown
FDA UNII: 83 X9LXJ · ELL83X9LXJ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338