2,6-Di-tert-butylnaphthalene
Basic information
- CAS
3905-64-4- Standard SMILES
CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1- InChIKey
TZGXZNWUOXLMFL-UHFFFAOYSA-N- Molecular formula
- C18H24
- Average molar mass
- 240.4 g/mol
- Monoisotopic mass
- 240.18780077
Names & identifiers
- Preferred name
- 2,6-Di-tert-butylnaphthalene
- IUPAC
- 2,6-ditert-butylnaphthalene
- English name
- 2,6-Di-tert-butylnaphthalene
- Molecular formula
- C18H24
- Molecular weight
- 240.38
Names & synonyms
2,6-Di-tert-butylnaphthalene3905-64-4Naphthalene, 2,6-di-tert-butyl-Naphthalene, 2,6-bis(1,1-dimethylethyl)-EINECS 223-461-1DTXSID20192299NSC 91463RefChem:83107DTXCID80114790223-461-1TZGXZNWUOXLMFL-UHFFFAOYSA-N2,6-ditert-butylnaphthalene
Show more names
DibutylnaphthaleneRARECHEM AQ BD 0NA22,6-di-ter-butylnaphthalene2,6-DI-TERT-BUTYLANAPHTHALENE2,6-Di-Tert-Butylnaphthalnene2,6-Di-tert-butylnaphthalene>2,6-DI-TERT-BUTYLNAPHTHALENE 98+%
MFCD00004110NSC91463NCIOpen2_0055542,6-di-t-butyl-naphthaleneNaphthalene,6-di-tert-butyl-SCHEMBL348347SCHEMBL720712SCHEMBL30010382
Database identifiers
- CAS
3905-64-4- PubChem CID
- 77509
- DTXSID
DTXSID20192299- EC Number
- 223-461-1
- Nikkaji
- J27.818A
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 148 °C · 148°C
- Boiling point
- 329.85 °C · 329.85°C
- Density
- 0.9093 · 0.9093 (estimate)
- refractive index
- 1.5496 · 1.5496 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 3905 · 3905-64-4(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · Naphthalene, 2,6-bis(1,1-dimethylethyl)-(3905-64-4)
- Comptox DTXSID
- 20192299 · DTXSID20192299
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2902909000
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H410-H372
- Precautionary statements
- P260-P264-P273-P501
Chemistry & industry
Applications
Uses2,6-Di-tert-butylnaphthalene can be used for pharmaceutical intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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