1,2,6-Trimethylnaphthalene
Basic information
- CAS
3031-05-8- Standard SMILES
Cc1ccc2c(C)c(C)ccc2c1- InChIKey
GQYLQOBVKLBZPU-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Names & identifiers
- Preferred name
- 1,2,6-Trimethylnaphthalene
- IUPAC
- 1,2,6-trimethylnaphthalene
- English name
- 1,2,6-TRIMETHYLNAPHTHALENE
- Molecular formula
- C13H14
- Molecular weight
- 170.25
Names & synonyms
1,2,6-Trimethylnaphthalene3031-05-8C19DIO9D5WDTXSID40184398RefChem:1052106DTXCID50106889221-204-8Naphthalene, 1,2,6-trimethyl-EINECS 221-204-8UNII-C19DIO9D5W1,2,6-trimethyl-naphthaleneSCHEMBL599166
Show more names
naphthalene,1,2,6-trimethyl-
SCHEMBL8010262AKOS006273910DB-238134NS00047081Q27275054
Database identifiers
- CAS
3031-05-8- PubChem CID
- 76419
- DTXSID
DTXSID40184398- UNII
- C19DIO9D5W
- EC Number
- 221-204-8
- Nikkaji
- J205.339J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 14 °C · 14°C
- Boiling point
- 269.91 °C · 269.91°C (estimate)
- Density
- 1.0006 · 1.0006 (estimate)
- refractive index
- 1.599 · 1.5990
- FDA UNII
- 19 DIO9D5W · C19DIO9D5W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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