CAS 32233-43-5 2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol (HCID 11051805)

기본 정보

CAS: 32233-43-5
표준 SMILES: CC1(C)OC[C@H](CCO)O1
InChIKey: YYEZYENJAMOWHW-LURJTMIESA-N
분자식: C7H14O3
평균 분자량: 146.18 g/mol
단동위원소 질량: 146.09429431

이름 및 식별자

우선 이름: 2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
IUPAC: 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
영어명: (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane
분자식: C7H14O3
분자량: 146.18

이름 및 동의어

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-ol2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-olRefChem:449332628-914-032233-43-5(S)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol(4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane(S)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolaneMFCD02682967(S)-2,2-DIMETHYL-4-HYDROXYETHYL-[1,3]DIOXOLANE(S)-2-(2,2-Dimethyl-[1,3]dioxolan-4-yl)ethanol

이름 더 보기

2-(2,2-diMethyl-1,3-dioxolan-4-yl)ethan-1-ol(S)-(+)-2,2-Dimethyl-1,3-Dio(S)-1,2-ISOPROPYLIDENEBUTANE-1,2,4-TRIOL(4S)-(+)-4-(2-HYDROXYETHYL)-2,2-DIMETHY&1,3-dioxolane-4-ethanol,2,2-dimethyl-,(4s)(S)-1,2-O-Isopropylidenebutane-1,2,4-triole(s)-(+)-2,2-dimethyl-1,3-dioxolane-4-ethanol2-(4S)-2,2-Dimethyl-1,3-dioxolan-4-ylethanol

(S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-olSCHEMBL368709(4S)-2,2-Dimethyl-1,3-dioxolane-4-ethanolCS-0052112EN300-761226(5)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanolABP001147

데이터베이스 식별자

CAS: 32233-43-5
PubChem CID: 11051805
DTXSID: DTXSID30453328
EC Number: 628-914-0
Nikkaji: J733.461C

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: 98 °C15 · 98 °C15 mm Hg(lit.)
밀도: 1.027 g/mL · 1.027 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4380(lit.)
인화점: 213 °F · 213 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.8 · 14.80±0.10(Predicted)
물리적 상태: 액체
색상: 무색 내지 거의 무색
InChI: InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKey: LMHCQSYOFZFRMI-AGZQWMCOSA-N
SMILES: O1C[C@H](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 41 reports by companies from 4 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: 3
HS 번호: 2932.99.9090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도(4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane may be used in the preparation (prop-2-ynyloxy)ethyl-tethered dioxolanes via O-propargylation. It may also be used as an intermediate in the total synthesis of rugulactone.