(4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane

HCID 11480522

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 70005-89-9
표준 SMILES: CC1(C)OC[C@@H](CCO)O1
InChIKey: YYEZYENJAMOWHW-ZCFIWIBFSA-N
분자식: C7H14O3
평균 분자량: 146.18 g/mol
단동위원소 질량: 146.09429431

이름 및 식별자

우선 이름: (4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane
IUPAC: 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
영어명: (4R)-4-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
분자식: C7H14O3
분자량: 146.18

이름 및 동의어

(4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolaneRefChem:403251627-537-970005-89-9(R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol(R)-2,2-Dimethyl-4-hydroxyethyl-[1,3]dioxolane(R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanolMFCD026829662-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]ethan-1-olH1188EN300-6946432

이름 더 보기

(4R)-4-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,&(R)-1,2-ISOPROPYLIDENEBUTANE-1,2,4-TRIOL(R)-1,2-O-Isopropylidenebutane-1,2,4-triol2(2,2-DIMETHYL-[1,3] DIOXOLAN-4-YL)-ETHANOL (R)

2-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol(R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol(4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane, 96%2-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol(R)-2,2-dimethyl-1,3-dioxolane-4-ethanolSCHEMBL6496561,3-Dioxolane-4-ethanol, 2,2-dimethyl-, (4R)-DTXSID90467163

데이터베이스 식별자

CAS: 70005-89-9
PubChem CID: 11480522
DTXSID: DTXSID90467163
EC Number: 627-537-9
Nikkaji: J1.718.581K

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: 207 °C · 207 °C(lit.)
밀도: 1.045 g/mL · 1.045 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4390(lit.)
인화점: 224 °F · 224 °F
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 14.8 · 14.80±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
InChI: 1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKey: YYEZYENJAMOWHW-ZCFIWIBFSA-N
SMILES: CC1(C)OC[C@@H](CCO)O1

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 40 reports by companies from 3 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: 29329990
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 · 1건

용도(4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane can be used:To introduce a chiral center selectively in the carbon chain C10 during the total synthesis of protectin D1.As a starting material in the total synthesis of an anti-diabetic molecule cytopiloyne.As a starting material in the preparation of 4-15N-amino-2-butane-1,2-diol, which is used to synthesize 15N-labeled oligodeoxynucleotides.