Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
Basic information
- CAS
80-81-9- Standard SMILES
CCc1ccc2c(c1)C(C)(C)CCC2(C)C- InChIKey
SLIOAQVQWDNBNB-UHFFFAOYSA-N- Molecular formula
- C16H24
- Average molar mass
- 216.36 g/mol
- Monoisotopic mass
- 216.18780077
Names & identifiers
- Preferred name
- Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
- IUPAC
- 6-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
- English name
- 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene
- Molecular formula
- C16H24
- Molecular weight
- 216.36176
Names & synonyms
Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-RefChem:83183280-81-96-Ethyl-1,1,4,4-tetramethyltetralin6-ethyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene6-Ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthaleneBRN 2442395EINECS 201-310-01,1,4,4-Tetramethyl-6-ethyltetralinAI3-238331,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-6-ethylnaphthalene4-05-00-01481 (Beilstein Handbook Reference)
Show more names
1,2,3,4-Tetrahydro-6-ethyl-1,1,4,4-tetramethylnaphthalene
SCHEMBL694638SCHEMBL3176733SCHEMBL4446990DTXSID7058836SCHEMBL157037396-ethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthaleneNaphthalene,6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-NAPHTHALENE, 1,2,3,4-TETRAHYDRO-6-ETHYL-1,1,4,4-TETRAMETHYL-
Database identifiers
- CAS
80-81-9- PubChem CID
- 6663
- DTXSID
DTXSID7058836- EC Number
- 201-310-0
- Nikkaji
- J20.987B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 316.8 °C · 316.8°C (estimate)
- Density
- 0.9158 · 0.9158 (estimate)
- refractive index
- 1.5079 · 1.5079 (estimate)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 6 · 6-Ethyl-1,1,4,4-tetramethyltetralin (80-81-9)
- 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.
Hazard information
Regulatory InformationChemical: Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-: INACTIVE
Applications
Uses6-Ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene is an intermediate used in the synthesis of 1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (T295405), which is used in the study of temperature dependence of retention index for perfumery compounds on glass capillary column. It is also used in biological studies.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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