2,6-디-tert-부틸-4-(메톡시메틸)페놀

2,6-Di-tert-butyl-4-(methoxymethyl)phenol

HCID 6911CAS 87-97-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: SCXYLTWTWUGEAA-UHFFFAOYSA-N
분자식: C16H26O2
평균 분자량: 250.38 g/mol
단동위원소 질량: 250.19328007

이름 및 식별자

우선 이름: 2,6-Di-tert-butyl-4-(methoxymethyl)phenol
IUPAC: 2,6-ditert-butyl-4-(methoxymethyl)phenol
현지명: 2,6-디-tert-부틸-4-(메톡시메틸)페놀
영어명: 2,6-di-tert-butyl-4-(methoxymethyl)phenol
분자식: C16H26O2
분자량: 250.38

이름 및 동의어

2,6-Di-tert-butyl-4-(methoxymethyl)phenolPhenol, 2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-RefChem:445263201-787-587-97-8Ethyl 7622,6-Di-tert-butyl-4-methoxymethylphenolIonol 4Ethyl Antioxidant 762Agidol 422,6-ditert-butyl-4-(methoxymethyl)phenolNSC 39711

이름 더 보기

2,6-디-tert-부틸-4-(메톡시메틸)페놀Nsc39711DTBHB-MeIonox 220 precursor4-(Methoxymethyl)-2,6-di(tert-butyl)phenol(3,5-Di-tert-butyl-4-hydroxybenzyl)methyl ether

PHENOL, 2,6-DI-tert-BUTYL-4-METHOXYMETHYL-Methyl ether of 3,5-di-tert-butyl-4-hydroxybenzenep-Cresol, 2,6-di-tert-butyl-alpha-methoxy-AL3G335FLPNSC-397112,6-di-t-butyl-4-methoxymethylphenolp-Cresol, 2,6-di-tert-butyl-.alpha.-methoxy-EINECS 201-787-5

데이터베이스 식별자

CAS: 87-97-8
PubChem CID: 6911
DTXSID: DTXSID40236043
ChEMBL: CHEMBL389894
UNII: AL3G335FLP
EC Number: 201-787-5
Nikkaji: J50.127A

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 235

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 101 °C · 101 °C
끓는 점: 353.51 °C · 353.51°C (rough estimate)
밀도: 0.9781 · 0.9781 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
산도 계수 (pKa): 11.17 · 11.17±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhenol, 2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)-: 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 CategoriesSkin Irrit. 2 (100%)