5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde
Basic information
- CAS
113221-73-1- Standard SMILES
CC1CC(C)(C)c2ccc(C=O)cc2C1(C)C- InChIKey
IQAZVEUAPIOTDC-UHFFFAOYSA-N- Molecular formula
- C16H22O
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.16706532
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehyde
- IUPAC
- 5,5,7,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Names & synonyms
2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-5,5,7,8,8-pentamethyl-234RB7A4FBUNII-234RB7A4FBDTXSID308887525,6,7,8-Tetrahydro-5,5,7,8,8-pentamethyl-2-naphthalenecarboxaldehydeRefChem:101091DTXCID701028028113221-73-1SCHEMBL5947552IQAZVEUAPIOTDC-UHFFFAOYSA-N5,5,7,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehydeNS00013222
Show more names
Q27253710
Database identifiers
- CAS
113221-73-1- PubChem CID
- 86311
- DTXSID
DTXSID30888752- UNII
- 234RB7A4FB
- Nikkaji
- J1.558.431I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
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 Information
Chemical: 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-5,5,7,8,8-pentamethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-5,5,7,8,8-pentamethyl-: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-5,5,7,8,8-pentamethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…