Basic information
- CAS
72928-51-9- Standard SMILES
CC1(C)CCCC2=C1CC(C#N)CC2- InChIKey
GYSKLORPARLOKC-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthalenecarbonitrile
- IUPAC
- 8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrile
- English name
- 1,2,3,4,5,6,7,8-octahydro-8,8-dimethylnaphthalene-2-carbonitrile
- Molecular formula
- C13H19N
- Molecular weight
- 189.3
Names & synonyms
72928-51-92-Naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-EB12VHM8TREINECS 277-081-61,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthonitrile1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthalenecarbonitrileUNII-EB12VHM8TRDTXSID408682078,8-DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDRO-2-NAPHTHONITRILERefChem:71242DTXCID10816336277-081-6
Show more names
Cyclomugal nitrile
8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbonitrileSCHEMBL3506598GYSKLORPARLOKC-UHFFFAOYSA-N1,2,3,4,5,6,7,8-Octahydro-8,8-dimethylnaphthalene-2-carbonitrile8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrileNS00013060Q27277080
Database identifiers
- CAS
72928-51-9- PubChem CID
- 166374
- DTXSID
DTXSID40868207- UNII
- EB12VHM8TR
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 307.6 · 307.6±31.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. citrus marine earthy
- Odor Type
- citrus
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.895 · 3.895 (est)
- FDA UNII
- 12 VHM8TR · EB12VHM8TR
- EPA Substance Registry System
- 2 · 2-Naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl- (72928-51-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-
2-Naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarbonitrile, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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