4-(2-히드록시에틸)-2,2-디메틸-1,3-디옥소란

2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethan-1-ol

HCID 4219754

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5754-34-7
표준 SMILES: CC1(C)OCC(CCO)O1
InChIKey: YYEZYENJAMOWHW-UHFFFAOYSA-N
분자식: C7H14O3
평균 분자량: 146.18 g/mol
단동위원소 질량: 146.09429431

이름 및 식별자

우선 이름: 2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
IUPAC: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
현지명: 4-(2-히드록시에틸)-2,2-디메틸-1,3-디옥소란
영어명: 4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane
분자식: C7H14O3
분자량: 146.18

이름 및 동의어

2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-olRefChem:451680963-187-62-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol5754-34-74-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolaneMFCD037016222,2dimethyl-4-(2-hydroxyethyl)1,3-dioxolane2,2-di-methyl-4-(2-hydroxyethyl)1,3-dioxolane2-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-ethanol(+/-)-2-(2,2-dimethyl-[1,3]dioxolan-4-yl)-ethanolBCP19987

이름 더 보기

4-(2-히드록시에틸)-2,2-디메틸-1,3-디옥소란2-(2,2-Dimethyl-1,3-dioxolan-4-yl)2,2-dimethyl-1,3-dioxolane-4-ethanol4-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIO&4-(2-Hydroxyethyl)-2,2-diMethyl-1,3-dioxolaMe(RAC)-2-(2,2-DIMETHYL[1,3]DIOXOLANE-4YL)ETHANOL4-(2-Hydroxyethyl)-2,2-diMethyl-1,3-dioxolane 98%1,4-Benzenedicarboxylicacid,bis(5-methylethyl)esterETHYL 7-(4-CHLOROPHENYL)-4-(3,4-DIMETHOXYPHENYL)-2-METHYL-5-OXO-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CA

1,3-Dioxolane-4-ethanol, 2,2-dimethyl-FT-0639012FT-0699571FT-0770435SCHEMBL418942SCHEMBL714053DTXSID00400965AKOS015912752

데이터베이스 식별자

CAS: 5754-34-7
PubChem CID: 4219754
DTXSID: DTXSID00400965
EC Number: 963-187-6
Nikkaji: J687.209C

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 111

물리화학적 성질

끓는 점: 199 · 199-200 °C(lit.)
밀도: 1.031 g/mL · 1.031 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4400(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 14.8 · 14.80±0.10(Predicted)
InChI: InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3
InChIKey: YYEZYENJAMOWHW-UHFFFAOYSA-N
SMILES: O1CC(CCO)OC1(C)C

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.