4,6-Di-tert-butyl-o-cresol
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Basic information
- CAS
616-55-7- Standard SMILES
Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O- InChIKey
ZZZRZBIPCKQDQR-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 4,6-Di-tert-butyl-o-cresol
- IUPAC
- 2,4-ditert-butyl-6-methylphenol
- English name
- 4,6-DI-TERT-BUTYL-2-METHYLPHENOL
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
616-55-72,4-di-tert-butyl-6-methylphenol4,6-DI-TERT-BUTYL-2-METHYLPHENOL4,6-Di-tert-butyl-o-cresolPhenol, 2,4-bis(1,1-dimethylethyl)-6-methyl-2,4-Ditert-butyl-6-methylphenolo-Cresol, 4,6-di-tert-butyl-87K7BRI932EINECS 210-485-2DTXSID30606672-methyl-4,6-di-tert-butylphenolRefChem:507916
Show more names
2,4-DI-TERT-BUTYL-O-CRESOLo-Cresol,4,6-di-tert-butyl-PHENOL,4,6-DI(1,1-DIMETHYLEPhloroglucinol Impurity 2342,4-Di-tert-butyl-6-methylphe4,6 DI-TERT-BUTYL ORTHO-CRESOL
DTXCID2043084210-485-2Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-UNII-87K7BRI932SCHEMBL92890SCHEMBL272648SCHEMBL3248389SCHEMBL3248393
Database identifiers
- CAS
616-55-7- PubChem CID
- 69224
- DTXSID
DTXSID3060667- ChEMBL
CHEMBL3120656- UNII
- 87K7BRI932
- EC Number
- 210-485-2
- Nikkaji
- J149.356F
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 50 · 50-52℃
- Boiling point
- 269 ℃ · 269℃
- Density
- 0.927 · 0.927
- refractive index
- 1.5048 · 1.5048 (estimate)
- Flash point
- 123 ℃ · 123℃
- pka
- 11.92 · 11.92±0.23(Predicted)
- CAS DataBase Reference
- 616 · 616-55-7
- FDA UNII
- 87 K7BRI932 · 87K7BRI932
- EPA Substance Registry System
- 2 · Phenol, 2,4-bis(1,1-dimethylethyl)-6-methyl- (616-55-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H413-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
Warning
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 181 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPhenol, 2,4-bis(1,1-dimethylethyl)-6-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H413-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,4-bis(1,1-dimethylethyl)-6-methyl-: ACTIVE
Related reactions
2 records
Compound notes
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