2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel-
Basic information
- CAS
1579-21-1- Standard SMILES
O=C1CC[C@H]2CCCC[C@H]2C1- InChIKey
LGVJRKCQQHOWAU-BDAKNGLRSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel-
- IUPAC
- (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
- English name
- 1-DECALONE
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel-DTXSID70883701RefChem:439763DTXCID601023201(-)-cis-2-Decalonecis-octahydro-naphthalen-2-one(4ar,8as)-octahydronaphthalen-2(1h)-oneSCHEMBL7009533cis-octahydro-2(1h)-naphthalenoneCIS-BICYCLO(4.4.0)DECANE-2-ONENS00082947Nsc59022
Show more names
1-DECALONEcis-beta-Decalone(-)-(Z)-2-decalonecis-2(1h)-naphthalenonDECAHYDRO-1-NAPHTHALENONEBICYCLO(4.4.0)-2-DECANONEOctahydro-2(1H)-naphthalenone
Database identifiers
- CAS
1579-21-1- PubChem CID
- 98498
- DTXSID
DTXSID70883701- EC Number
- 216-422-5
- Nikkaji
- J176.767D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- -14 °C · -14 °C
- Boiling point
- 73 · 73-75 °C1 mm Hg(lit.)
- Density
- 0.986 g/mL · 0.986 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.492(lit.)
- Flash point
- 190 °F · 190 °F
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.473 · 2.473 (est)
- FDA UNII
- 1 T26M36ZIE · 1T26M36ZIE
- EPA Substance Registry System
- 2 · 2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel- (1579-21-1)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel-: INACTIVE
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Related reactions
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Compound notes
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