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

이름 및 식별자

우선 이름: Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
IUPAC: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol
현지명: 2,6-DI-TERT-부틸-4-(디메틸아미노메틸)페놀
영어명: 2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol
분자식: C17H29NO
분자량: 263.42

이름 및 동의어

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)

이름 더 보기

2,6-DI-TERT-부틸-4-(디메틸아미노메틸)페놀AO-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 261

실험 및 물리화학적 성질

Polymers · 2건

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]

물리화학적 성질

녹는점: 93 · 93-94 °C(lit.)
끓는 점: 172 °C30 · 172 °C30 mm Hg(lit.)
밀도: 0.9225 · 0.9225 (rough estimate)
증기압: 0.002 Pa · 0.002Pa at 25℃
굴절률: 1.502 · 1.5020 (estimate)
인화점: 138 °C · 138°C
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 11.17 · 11.17±0.70(Predicted)
색상: 흰색에서 노란색, 주황색으로
수용성: 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
EPA: 2 · 2,6-Di-tert-butyl-.alpha.-(dimethylamino)-p-cresol (88-27-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: GO7887000
HS 번호: 2922.29.8190
risk_code: 22-36
hazard_code: Xn
safety_code: 26-36
기존화학 물질: KE-11157
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

Industry UsesLubricating agent

Use Classification · 2건

Plastics -> Antioxidants

Plastics -> Polymer Type -> N.a.

General Manufacturing Information · 2건

Petroleum Lubricating Oil and Grease Manufacturing

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

응용 분야

용도2,6-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.