3,5-Di-tert-butyl-4-hydroxybenzaldehyde (HCID 73219)

개요

3,5-di-tert-Butyl-4-hydroxybenzaldehyde is a hydroxybenzaldehyde.

이름 및 식별자

우선 이름: 3,5-Di-tert-butyl-4-hydroxybenzaldehyde
IUPAC: 3,5-ditert-butyl-4-hydroxybenzaldehyde
영어명: 3,5-Di-tert-butyl-4-hydroxybenzaldehyde
분자식: C15H22O2
분자량: 234.33

이름 및 동의어

3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-03,5-ditert-butyl-4-hydroxybenzaldehydeBenzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-BHT-CHODTXSID705765895VTI93VUL4-Hydroxy-3,5-di-tert-butylbenzaldehydeNSC-14450DTXCID8031447RefChem:91402

이름 더 보기

3,5-BHT-OCHDibutylhydroxybenzaldehyde3,5-Bis(DitertButyl)-4-HydroxyBenzaldehyde3,5-4-BHT-ALDEHYDEAKOS BBS-00003212TIMTEC-BB SBB007996LABOTEST-BB LT00940202

216-592-0MFCD000088263,5-Di-t-butyl-4-hydroxybenzaldehyde3,5-bis(tert-butyl)-4-hydroxybenzaldehyde4-Formyl-2,6-di-tert-butylphenol2,6-Di-tert-Butyl-4-formylphenolNSC144503,5-bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde

데이터베이스 식별자

CAS: 101100-38-3、1620-98-0
PubChem CID: 73219
DTXSID: DTXSID7057658
ChEMBL: CHEMBL225623
ChEBI: CHEBI:170060
UNII: 95VTI93VUL
EC Number: 216-592-0
Nikkaji: J148.925I

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 246

실험 및 물리화학적 성질

Chemical ClassesAntioxidant

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section165.21 Å² [M+H]+

물리화학적 성질

녹는점: 186 · 186-190 °C
끓는 점: 336.66 °C · 336.66°C (rough estimate)
밀도: 1.0031 · 1.0031 (rough estimate)
굴절률: 1.5542 · 1.5542 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 뜨거운 메탄올에 용해됩니다.
물리적 상태: 결정성 분말
산도 계수 (pKa): 8.33 · 8.33±0.40(Predicted)
색상: 연한 노란색에서 노란색-베이지색
BRN: 982526 · 982526
안정성: 흡습성
InChI: InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
InChIKey: DOZRDZLFLOODMB-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
NIST: 3 · 3,5-Di-tert-butyl-4-hydroxybenzaldehyde(1620-98-0)

화학적 성질

light yellow to yellow-beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, 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 12 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: WGK 3
rtecs: CU5610070
HS 번호: 29124990
risk_code: 36/37/38-36-25
hazard_code: Xi,T
safety_code: 24/25-45-26-36/37
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,5-Di-tert-butyl-4-hydroxybenzaldehyde is employed as an OLED materials. It is also used as a pharmaceutical intermediate. The derivatives of this compound possess equipotent anti-inflammatory activities to indomethacin.