CAS 70005-89-9 (4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane (HCID 11480522)

基本情報

CAS: 70005-89-9
標準SMILES: CC1(C)OC[C@@H](CCO)O1
InChIKey: YYEZYENJAMOWHW-ZCFIWIBFSA-N
分子式: C7H14O3
平均分子量: 146.18 g/mol
単同位体質量: 146.09429431

名称と識別子

優先名称: (4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane
IUPAC: 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
現地名: (R)-4-(2-ヒドロキシエチル)-2,2-ジメチル-1,3-ジオキソラン
英語名: (4R)-4-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
分子式: C7H14O3
分子量: 146.18

名称と別名

(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

名称をさらに表示

(R)-4-(2-ヒドロキシエチル)-2,2-ジメチル-1,3-ジオキソラン(4R)-4-(2-ヒドロキシエチル)-2,2-ジメチル-1,3-ジオキソラン(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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.2
極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 111

物理化学的性質

沸点: 207 °C · 207 °C(lit.)
比重(密度): 1.045 g/mL · 1.045 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4390(lit.)
闪点: 224 °F · 224 °F
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 14.8 · 14.80±0.10(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
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
CAS データベース: 70005 · 70005-89-9

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29329990
risk_code: 36/37/38
化審法: (5)-502
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用(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.