Basic information
- Standard SMILES
CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
BVUXDWXKPROUDO-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- 2,6-Di-tert-butyl-4-ethylphenol
- IUPAC
- 2,6-ditert-butyl-4-ethylphenol
- English name
- 2,6-Ditert-butyl-4-ethylphenol
- Molecular formula
- C16H26O
- Molecular weight
- 234.38
Names & synonyms
Show more names
Database identifiers
- CAS
4130-42-1- PubChem CID
- 20087
- DTXSID
DTXSID0029262- ChEMBL
CHEMBL225620- ChEBI
CHEBI:177477- UNII
- SV7OZ6J97M
- EC Number
- 223-945-2
- Nikkaji
- J104.299H
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
Physical Description
Dry Powder
Solid
Physicochemical properties
- Melting point
- 44 °C · >44°C
- Boiling point
- 272 °C · 272°C
- Density
- 0.926 · 0.9260 (estimate)
- refractive index
- 1.5041 · 1.5041 (estimate)
- Flash point
- 105 °C · 105°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.83 · 12.83±0.40(Predicted)
- color
- White to Light Yellow
- BRN
- 1875693 · 1875693
- LogP
- 5.678 · 5.678 (est)
- Indirect Additives used in Food Contact Substances
- 2 · 2,6-DI-TERT-BUTYL-4-ETHYLPHENOL
- CAS DataBase Reference
- 4130 · 4130-42-1(CAS DataBase Reference)
- FDA 21 CFR
- 178.201 · 178.2010
- FDA UNII
- 7 OZ6J97M · SV7OZ6J97M
- NIST Chemistry Reference
- 2 · 2,6-Ditert-butyl-4-ethylphenol(4130-42-1)
- EPA Substance Registry System
- 2 · 2,6-Di-tert-butyl-4-ethylphenol (4130-42-1)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H410
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P391-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3077 · 3077
- TSCA
- TSCA listed
- HS Code
- 2907.19 · 2907.19.2000
- HazardClass
- 9 · 9
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (1 of 18) of reports.
Warning
H315 (61.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (61.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (55.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard];H411 (27.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 18 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 18 reports by companies.;There are 7 notifications provided by 17 of 18 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-: 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 Categories
Skin Irrit. 2 (61.1%);Eye Irrit. 2 (61.1%);STOT SE 3 (55.6%);Aquatic Acute 1 (33.3%);Aquatic Chronic 1 (33.3%);Aquatic Chronic 2 (27.8%)
Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
Toxicology
Regulatory information
Regulatory Information
Chemical: Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-: 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.
Safety data
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 2907.19.2000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- safety_code
- 26-36
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H335-H315-H319-H410
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P391-P501
Chemistry & industry
Pharmacology
Uses & manufacturing
General Manufacturing Information
Miscellaneous Manufacturing
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-: ACTIVE
Applications
Uses2,6-Di-tert-butyl-4-ethylphenol is used as a catalyst for the synthesis of aromatic carboxamides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: 2,6-di-tert-butyl-4-ethylphenol is an alkylbenzene.
Related reactions
Linked notes
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