CAS 88-27-7 Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)- (HCID 66609)

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Basic information

CAS: 88-27-7
Standard SMILES: CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: VMZVBRIIHDRYGK-UHFFFAOYSA-N
Molecular formula: C17H29NO
Average molar mass: 263.4 g/mol
Monoisotopic mass: 263.22491455

Names & identifiers

Preferred name: Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
IUPAC: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol
English name: 2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol
Molecular formula: C17H29NO
Molecular weight: 263.42

Names & synonyms

2,6-Di-tert-butyl-alpha-(dimethylamino)-p-cresolPhenol, 4-((dimethylamino)methyl)-2,6-bis(1,1-dimethylethyl)-Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-RefChem:86118188-27-72,6-di-tert-Butyl-4-(dimethylaminomethyl)phenolN,N-dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamineEthyl 7032,6-Di-tert-butyl-4-(dimethylamino)methylphenolAgidol 32,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenolF 1 (Antioxidant)

Show more names

AO-703Antioxidant 703F 1agidol3ethyl703

Ethyl antioxidant 703C17H29NO2,6-Di-tert-butyl-4-dimethylaminomethylphenolNSC 278232,6-Di-tert-butyl-alpha-dimethylamino-p-cresol2,6-ditert-butyl-4-[(dimethylamino)methyl]phenolDTXSID0044997N-(3,5-Di-tert-butyl-4-hydroxybenzyl)dimethylamine

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 261

Experimental & physicochemical properties

Polymers · 2 items

Plastics -> N.a.

Plastics -> Antioxidants

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionDry Powder; Other Solid

Collision Cross Section172.0 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044997]

Physicochemical properties

Melting point: 93 · 93-94 °C(lit.)
Boiling point: 172 °C30 · 172 °C30 mm Hg(lit.)
Density: 0.9225 · 0.9225 (rough estimate)
vapor pressure: 0.002 Pa · 0.002Pa at 25℃
refractive index: 1.502 · 1.5020 (estimate)
Flash point: 138 °C · 138°C
storage temp.: Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (6 of 282) of reports.

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 282 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-

Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)- 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)

Status: Active Update: 26-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10670

2,6-Di-tert-butyl-Î±-dimethylamino-p-cresol: 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 (97.9%)

Safety data

wgk: 2
tsca: TSCA listed
rtecs: GO7887000
hs_code: 2922.29.8190
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 250,000 - <400,000 lb

Industry UsesLubricating agent

Use Classification · 2 items

Plastics -> Antioxidants

Plastics -> Polymer Type -> N.a.

General Manufacturing Information · 2 items

Petroleum Lubricating Oil and Grease Manufacturing

Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-: ACTIVE

Applications

Uses2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol, also known as antioxidant 703, is mainly used as an antioxidant in preparing rubber, synthetic resin, gasoline, and oil.