2(1H)-Naphthalenone, octahydro-, cis-
Basic information
- CAS
1579-21-1- Standard SMILES
O=C1CC[C@@H]2CCCC[C@@H]2C1- InChIKey
LGVJRKCQQHOWAU-DTWKUNHWSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
See also: 2(1H)-Naphthalenone, octahydro-, (4aR,8aS)-rel- (annotation moved to).
Names & identifiers
- Preferred name
- 2(1H)-Naphthalenone, octahydro-, cis-
- IUPAC
- (4aS,8aR)-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-, cis-RefChem:439764cis-2-Decalone1579-21-12-Decalone, cis-cis-.beta.-Decalone(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one1T26M36ZIENSC-59022Octahydro-2(1H)-naphthalenone(-)-cis-2-Decalone2-Decalone,c&t
Show more names
Nsc590221-DECALONE(-)-(Z)-2-decalonecis-2(1h)-naphthalenonDECAHYDRO-1-NAPHTHALENONEBICYCLO(4.4.0)-2-DECANONE
cis-beta-Decalonecis-Octahydronaphthalene-2(1H)-onecis-octahydro-naphthalen-2-oneNSC 59022EINECS 216-422-5(4aS,8aR)-2-DecaloneUNII-1T26M36ZIEOctahydro-2(1H)-naphthalenone #
Database identifiers
- CAS
1579-21-1- PubChem CID
- 246289
- UNII
- 1T26M36ZIE
- EC Number
- 216-422-5
- Nikkaji
- J413.779E
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
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.
Hazard information
Regulatory InformationChemical: 2(1H)-Naphthalenone, octahydro-, cis-
Other Safety InformationIMAP assessments - 2(1H)-Naphthalenone, octahydro-, cis-: Environment tier I assessment
Safety data
- wgk
- 3
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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