2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
Basic information
- CAS
68991-96-8- Standard SMILES
CC1(C)CCCC2=C1CCC(C=O)C2- InChIKey
POLSEKWMVQFBBA-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
- IUPAC
- 5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde
- English name
- 1,2,3,4,5,6,7,8-octahydro-5,5-dimethylnaphthalene-2-carbaldehyde
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
68991-96-82-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-EINECS 273-660-2DTXSID808677941,2,3,4,5,6,7,8-Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde5,5-Dimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenecarboxaldehydeRefChem:476388DTXCID80815952273-660-25,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde5,5-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehydeSCHEMBL15199501
Show more names
1,2,3,4,5,6,7,8-Octahydro-5,5-dimethyl-2-naphthalenecarbaldehyde1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-2-Naphthalenecarboxaldehyde
POLSEKWMVQFBBA-UHFFFAOYSA-NNS00013059
Database identifiers
- CAS
68991-96-8- PubChem CID
- 112134
- DTXSID
DTXSID80867794- EC Number
- 273-660-2
- Nikkaji
- J332.606C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1,2,3,4,5,6,7,8-Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 1 Torr)
- Density
- 1 g/cm3 · 1.000 g/cm3
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.87 · 3.870 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl- (68991-96-8)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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 95.3% (223 of 234) of all reports.
Not Classified
Aggregated GHS information provided per 234 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
1,2,3,4,5,6,7,8-Octahydro-5,5-dimethyl-2-naphthalenecarboxaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…