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

名称と識別子

優先名称: Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
IUPAC: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol
現地名: 2,6-ジ-tert-ブチル-4-ジメチルアミノメチルフェノール
英語名: 2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol
分子式: C17H29NO
分子量: 263.42

名称と別名

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)

名称をさらに表示

2,6-ジ-tert-ブチル-4-ジメチルアミノメチルフェノール2,6-ジ-t-ブチル-4-ジメチルアミノメチルフェノール2,6-ジ-tert-ブチル-4-(ジメチルアミノメチル)フェノール(3,5-ジ-tert-ブチル-4-ヒドロキシベンジル)ジメチルアミン2,6-ジ-T-ブチル-4-(ジメチルアミノメチル)フェノール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

データベース識別子

CAS: 88-27-7
PubChem CID: 66609
DTXSID: DTXSID0044997
ChEMBL: CHEMBL1528970
UNII: 8TK6VR2KYX
EC Number: 201-816-1
Nikkaji: J47.627G

物性

構造計算による物性

XLogP: 4.7
極性表面積: 23.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 261

実験および物理化学的性質

Polymers · 2 件

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]

物理化学的性質

融点: 93 · 93-94 °C(lit.)
沸点: 172 °C30 · 172 °C30 mm Hg(lit.)
比重(密度): 0.9225 · 0.9225 (rough estimate)
蒸気圧: 0.002 Pa · 0.002Pa at 25℃
屈折率: 1.502 · 1.5020 (estimate)
闪点: 138 °C · 138°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 11.17 · 11.17±0.70(Predicted)
色: White to Yellow to Orange
水溶解度: 10.7 mg/L · 10.7mg/L at 20℃
BRN: 884076 · 884076
Henry's Law Constant: 4.8 · 4.8×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3
InChIKey: VMZVBRIIHDRYGK-UHFFFAOYSA-N
SMILES: CN(C)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
LogP: 4.24 · 4.24
CAS データベース: 88 · 88-27-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2,6-Di-tert-butyl-.alpha.-(dimethylamino)-p-cresol (88-27-7)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: GO7887000
hs_code: 2922.29.8190
risk_code: 22-36
化審法: (3)-2865
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

Industry UsesLubricating agent

Use Classification · 2 件

Plastics -> Antioxidants

Plastics -> Polymer Type -> N.a.

General Manufacturing Information · 2 件

Petroleum Lubricating Oil and Grease Manufacturing

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

応用分野

使用2,6-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.