2,6-Di-tert-butyl-4-ethylphenol

HCID 20087CAS 4130-42-1

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

2,6-Di-tert-butyl-4-ethylphenol4130-42-1Ionol 24-Ethyl-2,6-di-tert-butylphenol2,6-Bis(1,1-dimethylethyl)-4-ethylphenolYoshinox 250Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-Sandant 425Phenol, 2,6-di-tert-butyl-4-ethyl-Nocrac M 171-Hydroxy-4-ethyl-2,6-di-tert-butylbenzeneNSC 14453
Show more names
BHEBNoclizer M-17ANTIOXIDANT BHEBAntioxidant DBEPDibutylethylphenol
2,6-di-t-Butyl-4-ethylphenolDTXSID0029262EINECS 223-945-2SV7OZ6J97MNocrac M17CCRIS 8263NSC-14453NOCLIZER M 17

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

Experimental & physicochemical properties

Boiling Point272.00 °C. @ 760.00 mm Hg
Melting Point43.5 - 45 °C
Physical Description · 2 items

Dry Powder

Solid

Kovats Retention Index1760;1747

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 3 items

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 · 2 items

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

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Regulatory information

Regulatory Information · 3 items

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

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

U.S. Production2023: 308,644 lb;2022: 308,644 lb;2021: 281,087 lb;2020: 192,903 lb
Industry UsesPolymerization promoter
General Manufacturing Information · 2 items

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.

Suppliers50 total

上海利卡斯实业有限公司19821976800 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: 2,6-di-tert-butyl-4-ethylphenol is an alkylbenzene.

Related reactions

2 records

Linked notes

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