1,3-벤젠디메탄올,5-(1,1-디메틸에틸)-2-히드록시-

5-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedimethanol

HCID 150981CAS 2203-14-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(CO)c(O)c(CO)c1
InChIKey: SIBBGGADHQDMHI-UHFFFAOYSA-N
분자식: C12H18O3
평균 분자량: 210.27 g/mol
단동위원소 질량: 210.12559444

개요

structure in first source

이름 및 식별자

우선 이름: 5-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedimethanol
IUPAC: 4-tert-butyl-2,6-bis(hydroxymethyl)phenol
현지명: 1,3-벤젠디메탄올,5-(1,1-디메틸에틸)-2-히드록시-
영어명: 1,3-Benzenedimethanol, 5-(1,1-dimethylethyl)-2-hydroxy-
분자식: C12H18O3
분자량: 210.27

이름 및 동의어

2203-14-75-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedimethanol2,6-Bis(ohme)-tbuphoh2,6-Bis(hydroxymethyl)-4-tert-butylphenolDTXSID60176497RefChem:83092DTXCID40989884-tert-butyl-2,6-bis(hydroxymethyl)phenol(5-(tert-Butyl)-2-hydroxy-1,3-phenylene)dimethanol1,3-Benzenedimethanol, 5-(1,1-dimethylethyl)-2-hydroxy-CBDivE_0059234-tert-butyl-2,6-di(hydroxymethyl)phenol

이름 더 보기

1,3-벤젠디메탄올,5-(1,1-디메틸에틸)-2-히드록시-4-TERT-BUTYL-2,6,BIS-HYDROXYMETHYL-PHENOL

Oprea1_659383(5-tert-butyl-2-hydroxy-1,3-phenylene)dimethanolSCHEMBL1966752,6-dimethylol-p-t-butylphenolSIBBGGADHQDMHI-UHFFFAOYSA-NALBB-016091AKOS0016752842,6-bis(hydroxymethyl)-4-t-butylphenol

데이터베이스 식별자

CAS: 2203-14-7
PubChem CID: 150981
DTXSID: DTXSID60176497
EC Number: 606-902-6
Nikkaji: J609.665D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 88.2 · 88.2-89.0 °C(Solv: ligroine (8032-32-4))
끓는 점: 342.7 · 342.7±11.0 °C(Predicted)
밀도: 1.154 · 1.154±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.12 · 10.12±0.23(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (108 of 108) of all reports.

Not Classified

Aggregated GHS information provided per 108 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

HS 번호: 2908990000

화학 및 산업

응용 분야

용도4-tert-Butyl-2,6-bis(hydroxymethyl)phenol can be used as photosensitive resin composition containing polyimide, polybenzoxazole precursor for electroluminescent element.