CAS 3143-02-0 3-Methyl-3-oxetanemethanol (HCID 137837)

概要

(3-Methyl-3-oxetanyl)methanol is a 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol.

名称と識別子

優先名称: 3-Methyl-3-oxetanemethanol
IUPAC: (3-methyloxetan-3-yl)methanol
現地名: 3-メチル-3-オキセタンメタノール
英語名: 3-Methyl-3-oxetanemethanol
分子式: C5H10O2
分子量: 102.13

名称と別名

3-Methyl-3-oxetanemethanol3143-02-03-Oxetanemethanol, 3-methyl-DTXSID90185350RefChem:5037783Hydroxymethyl3methyloxetaneDTXCID00107841684-156-0(3-methyloxetan-3-yl)methanol3-Hydroxymethyl-3-methyloxetane3-Hydroxymethyl-3-methyl-oxetane3-(Hydroxymethyl)-3-methyloxetane

名称をさらに表示

3-メチル-3-オキセタンメタノール3-メチル-3-ヒドロキシメチルオキセタン3-メチル-3-(ヒドロキシメチル)オキセタン2-メチル-2-ヒドロキシメチル-1,3-エポキシプロパン3-メチルオキセタン-3-メタノール2-(ヒドロキシメチル)-2-メチル-1,3-エポキシプロパン3-(ヒドロキシメチル)-3-メチルオキセタン3‐メチル‐3‐オキセタンメタノール(3-メチルオキセタン-3-イル)メタノール3-メチル-3-オキセタンメタノール, 97%3-メチルオキセタン-3-イルメタノール3-ヒドロキシメチル-3-メチルオキセタン-3-oxetanemethanoLTIMTEC-BB SBB009078RARECHEM AK ML 0581Methyl-3-oxetaneMethaCinchone intermediate3-Methyl-3-oxetanemethano3-Methyloxetane-3-methanol3-methvl-3-oxetanemethanol

MFCD00010273(3-Methyl-3-oxetanyl)methanol3-methyl-3-hydroxymethyloxetaneCHEMBL4741849(3-methyl-oxetan-3-yl)-methanolM11362-(Hydroxymethyl)-2-methyl-1,3-epoxypropane(3-methyloxetan-3-yl)methan-1-ol

データベース識別子

CAS: 3143-02-0
PubChem CID: 137837
DTXSID: DTXSID90185350
ChEMBL: CHEMBL4741849
ChEBI: CHEBI:194965
EC Number: 684-156-0
Nikkaji: J36.630G

物性

構造計算による物性

XLogP: -0.2
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 66.5

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 80 °C/40 · 80 °C/40 mmHg (lit.)
比重(密度): 1.024 g/mL · 1.024 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.446(lit.)
闪点: 210 °F · 210 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、メタノールに可溶。
外見: 液体
酸解離定数(Pka): 14.58 · 14.58±0.10(Predicted)
比重: 1.024 · 1.024
色: 無色透明～淡黄色
BRN: 102773 · 102773
InChI: InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKey: NLQMSBJFLQPLIJ-UHFFFAOYSA-N
SMILES: O1CC(C)(CO)C1
CAS データベース: 3143 · 3143-02-0(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Methyl-3-oxetanemethanol(3143-02-0)

化学的性質

化学的特性Clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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

Regulatory Information3-Oxetanemethanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation and skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 29329990
risk_code: 43
化審法: (5)-14
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 23-24/25-36/37
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用3-Methyl-3-oxetanemethanol has been used in the preparation of star-shaped copolymer consisting of a hyperbranched poly(3-methyl-3-oxetanemethanol) core and polytetrahydrofuran arms, pyridyl disulfide-functionalized cyclic carbonate monomer, required for the synthesis of of functional poly(ε-caprolactone) containing pendant pyridyl disulphide groups and δ-lactams. It is used to synthesize octahydroindole alkaloids and γ-butenolides.

調製方法

純化方法Purify the oxetane by fractionation through a glass column [Pattison J Am Chem Soc 79 3455 1957, Corey et al. J Am Chem Soc 106 2736 1984]. [Beilstein 17 III/IV 1128.]