2-Decalone

HCID 100328

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Basic information

CAS: 4832-17-1
Standard SMILES: O=C1CCC2CCCCC2C1
InChIKey: LGVJRKCQQHOWAU-UHFFFAOYSA-N
Molecular formula: C10H16O
Average molar mass: 152.23 g/mol
Monoisotopic mass: 152.12011513

Names & identifiers

Preferred name: 2-Decalone
IUPAC: 3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
English name: 2-DECALONE
Molecular formula: C10H16O
Molecular weight: 152.23

Names & synonyms

4832-17-12-DECALONEDTXSID00862701157GES295FNSC-289484RefChem:1062957DTXCID00811431225-411-42(1H)-Naphthalenone, octahydro-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-oneperhydronaphthalen-2-oneoctahydronaphthalen-2-one

Show more names

Einecs 225-411-4bicyclo(4.4.0)decan-2-oneOctahydronaphthalen-2(1H)-one

MFCD00001731Octahydro-2(1H)-naphthalenone2-Decalone (cis-trans)2-Decalone,c&tDecahydro-2-naphthalenonedecalin-2-onedecahydronaphthalen-2-oneOctahydro-naphthalen-2-one

Database identifiers

CAS: 4832-17-1
PubChem CID: 100328
DTXSID: DTXSID00862701
EC Number: 225-411-4
Nikkaji: J8.780G

Properties

Computed structural properties

XLogP: 2.5
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

Physicochemical properties

Melting point: 130 · 130-131 °C (decomp)
Boiling point: 96 °C2.5 · 96 °C2.5 mm Hg(lit.)
Density: 0.979 g/mL · 0.979 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.491(lit.)
Flash point: 215 °F · 215 °F
InChI: 1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2
InChIKey: LGVJRKCQQHOWAU-UHFFFAOYSA-N
SMILES: O=C1CCC2CCCCC2C1
FDA UNII: 157 GES295F · 157GES295F
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
WGK Germany: 3 · 3
HS Code: 2914390090 · 2914390090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 2914390090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses2-Decalone (mixture of cis and trans) is obtained by dosing the extracts of kidney homogenates from male rats with cis- and trans-decalin.

General Description2-Decalone (mixture of cis and trans) is obtained by dosing the extracts of kidney homogenates from male rats with cis- and trans-decalin.