Basic information
- CAS
879-97-0- Standard SMILES
Cc1cc(C(C)(C)C)cc(C)c1O- InChIKey
MEPYMUOZRROULQ-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 4-tert-Butyl-2,6-xylenol
- IUPAC
- 4-tert-butyl-2,6-dimethylphenol
- English name
- 4-tert-butyl-2,6-xylenol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27072
Names & synonyms
4-tert-Butyl-2,6-dimethylphenol879-97-04-tert-Butyl-2,6-xylenol2,6-Dimethyl-4-tert-butylphenolPhenol, 4-(1,1-dimethylethyl)-2,6-dimethyl-2,6-Xylenol, 4-tert-butyl-E8BIN7D1D0EINECS 212-910-7NSC 48140NSC-48140DTXSID4061254RefChem:526786
Show more names
DTXCID3048605212-910-74-(1,1-Dimethylethyl)-2,6-dimethylphenol4-tert-butyl-2,6-dimethyl-phenolUNII-E8BIN7D1D0NSC481402, 4-tert-butyl-Phenol,4-(1,1-dimethylethyl)-2,6-dimethyl-
Database identifiers
- CAS
879-97-0- PubChem CID
- 70150
- DTXSID
DTXSID4061254- UNII
- E8BIN7D1D0
- EC Number
- 212-910-7
- Nikkaji
- J195.174B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 82.4 °C · 82.4°C
- Boiling point
- 248.05 °C · 248.05°C
- Density
- 0.916 · 0.9160
- refractive index
- 1.5091 · 1.5091 (estimate)
- FDA UNII
- 8 BIN7D1D0 · E8BIN7D1D0
- EPA Substance Registry System
- 4 · Phenol, 4-(1,1-dimethylethyl)-2,6-dimethyl- (879-97-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(1,1-dimethylethyl)-2,6-dimethyl-: INACTIVE
Suppliers5 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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