Basic information
- CAS
5806-72-4- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(O)c(C(C)(C)CC(C)(C)C)c1- InChIKey
DNYCICZKXQGHBJ-UHFFFAOYSA-N- Molecular formula
- C22H38O
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.29226583
Names & identifiers
- Preferred name
- 2,4-Bis(1,1,3,3-tetramethylbutyl)phenol
- IUPAC
- 2,4-bis(2,4,4-trimethylpentan-2-yl)phenol
- English name
- 2,4-bis(1,1,3,3-tetramethylbutyl)phenol
- Molecular formula
- C22H38O
- Molecular weight
- 318.54
Names & synonyms
Phenol, 2,4-bis(1,1,3,3-tetramethylbutyl)-2,4-Bis(1,1,3,3-tetramethylbutyl)phenol2,4-di-tert-octylphenol3R479CL9N7DTXSID8064010RefChem:82211DTXCID2042303227-364-55806-72-42,4-bis(2,4,4-trimethylpentan-2-yl)phenolEINECS 227-364-52,4-di-t-octyl-phenol
Show more names
2,4-Di-tert-octyl phenol
SCHEMBL768277UNII-3R479CL9N7SCHEMBL7452935NS00033849
Database identifiers
- CAS
5806-72-4- PubChem CID
- 79870
- DTXSID
DTXSID8064010- UNII
- 3R479CL9N7
- EC Number
- 227-364-5
- Nikkaji
- J218.066I
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 73 · 73-74 °C
- Boiling point
- 216.5 · 216.5-217.5 °C(Press: 30 Torr)
- Density
- 0.901 · 0.901±0.06 g/cm3(Predicted)
- pka
- 10.53 · 10.53±0.45(Predicted)
- FDA UNII
- 3 R479CL9N7 · 3R479CL9N7
- EPA Substance Registry System
- 2 · Phenol, 2,4-bis(1,1,3,3-tetramethylbutyl)- (5806-72-4)
- 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
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: Phenol, 2,4-bis(1,1,3,3-tetramethylbutyl)-
Other Safety InformationIMAP assessments - Octylphenols: Human health tier II assessment
Hazard Classes and CategoriesSkin corrosion - category 1
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,4-bis(1,1,3,3-tetramethylbutyl)-: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
1 records
Compound notes
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