4-히드록시-3,5-비스(이소프로필)벤즈알데히드

4-Hydroxy-3,5-bis(isopropyl)benzaldehyde

HCID 82712CAS 10537-86-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)c1cc(C=O)cc(C(C)C)c1O
InChIKey: WVGDLTQPAQUBMO-UHFFFAOYSA-N
분자식: C13H18O2
평균 분자량: 206.28 g/mol
단동위원소 질량: 206.13067982

이름 및 식별자

우선 이름: 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
IUPAC: 4-hydroxy-3,5-di(propan-2-yl)benzaldehyde
현지명: 4-히드록시-3,5-비스(이소프로필)벤즈알데히드
영어명: 4-hydroxy-3,5-bis(isopropyl)benzaldehyde
분자식: C13H18O2
분자량: 206.28

이름 및 동의어

10537-86-74-Hydroxy-3,5-bis(isopropyl)benzaldehyde4-hydroxy-3,5-diisopropylbenzaldehyde4-hydroxy-3,5-di(propan-2-yl)benzaldehydeMFCD008128753,5-diisopropyl-4-hydroxybenzaldehyde4-hydroxy-3,5-bis(propan-2-yl)benzaldehydeEINECS 234-111-24-HYDROXY-3,5-BIS(1-METHYLETHYL)BENZALDEHYDE4-Hydroxy-3,5-bis(1-methylethyl)-benzaldehyde4-Hydroxy-3,5-bis(1-methylethyl)benzaldehyde; 3,5-Bis(1-methylethyl)-4-hydroxybenzaldehyde; 3,5-Diisopropyl-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-bis(isopropyl)benzaldehyde; 4-Hydroxy-3,5-diisopropylbenzaldehyde;4-Hydroxy-3,5-diisopropyl-benzaldehyde

이름 더 보기

4-히드록시-3,5-비스(이소프로필)벤즈알데히드3,5-Bis(1-methylethyl)-4-hydroxybenzaldehyde3-anilino-N,N-diethyl-1-pyrrolidinecarboxamide

CDS1_003950CBMicro_017454Cambridge id 5318853Benzaldehyde,4-hydroxy-3,5-bis(1-methylethyl)-CHEMBL55354DivK1c_004990orb2695040orb2695045

데이터베이스 식별자

CAS: 10537-86-7
PubChem CID: 82712
DTXSID: DTXSID50147095
ChEMBL: CHEMBL55354
EC Number: 234-111-2
Nikkaji: J226.981C

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 193

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 119 · 119-120 °C
끓는 점: 291.5 · 291.5±40.0 °C(Predicted)
밀도: 1.033 · 1.033±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 에 용해됨디클로로메탄, 에틸아세테이트
물리적 상태: 고체
산도 계수 (pKa): 8.83 · 8.83±0.23(Predicted)
색상: 하얀색

화학 및 산업

응용 분야 · 1건

용도4-hydroxy-3,5-bis(1-methylethyl)-benzaldehyde is used as a starting material for the one-pot synthesis of 3,5-Dialkyl-4-hydroxybenzonitrile derivatives; Also, it is an intermediate used in the synthesis of MTS PHOTO-SWITCHABLE Compound (M125115), a derivative compound of Maleidopropionic Acid (M140750), a sulfhyryl reactive heterobifunctional crosslinking reagent.