Basic information
- CAS
16423-19-1- Standard SMILES
CC1CCCC2(C)CCCCC12O- InChIKey
JLPUXFOGCDVKGO-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Overview
Octahydro-4,8a-dimethyl-4a(2H)-naphthalenol has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- Octahydro-4,8a-dimethyl-4a(2H)-naphthol
- IUPAC
- 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
- English name
- octahydro-4,8a-dimethyl-4a(2H)-naphthol
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
Octahydro-4,8a-dimethyl-4a(2H)-naphthol23333-91-74,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol4a(2H)-Naphthol, octahydro-4,8a-dimethyl-4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-EINECS 245-590-2DTXSID80518874a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S,4aS,8aR)-RefChem:855857DTXCID6030447245-590-216452-32-7
Show more names
1,5-Dimethylbicyclo[4.4.0]decan-6-olOctahydro-4,8a-dimethyl-4a(2H)-naphthalenol4a(2H)-Naphthalenol,octahydro-4,8a-dimethyl-
5173-69-34,8A-DIMETHYLOCTAHYDRONAPHTHALEN-4A(2H)-OL(4alpha,4aalpha,8aalpha)-Octahydro-4,8a-dimethyl-4a(2H)-naphthol4,8a-Dimethyl-decahydronaphthalen-4a-ol4,8a-dimethyldecalin-4a-olCCRIS 65924,8a-Dimethyloctahydro-4a(2H)-naphthalenol4,8a-Dimethyloctahydro-4a(2H)-naphthalenol #
Database identifiers
- CAS
16423-19-1、16452-32-7、19700-21-1、23333-91-7、5173-69-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Octahydro-4,8a-dimethyl-4a(2H)-naphthol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Boiling Point270.00 to 271.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 252 ℃ · 252℃
- Density
- 0.985 · 0.985
- FEMA
- 4682 · 4682 | OCTAHYDRO-4,8A-DIMETHYL-4A(2H)-NAPHTHOL
- Flash point
- 104 ℃ · 104℃
- pka
- 15.23 · 15.23±0.60(Predicted)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. freshly plowed soil earthy
- Odor Type
- earthy
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.497 · 3.497 (est)
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 100% (99 of 99) of all reports.
Not Classified
Aggregated GHS information provided per 99 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-
4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, (4S,4aS,8aR)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-: ACTIVE
Suppliers4 total
杭州贵驰科技有限公司(+86 571) 2818 0696
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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