CAS 4220-66-0 Methyl 4,4-dimethoxybutanoate (HCID 350846)

基本情報

CAS: 4220-66-0
標準SMILES: COC(=O)CCC(OC)OC
InChIKey: MMRXJPOAPCEDLP-UHFFFAOYSA-N
分子式: C7H14O4
平均分子量: 162.18 g/mol
単同位体質量: 162.08920893

名称と識別子

優先名称: Methyl 4,4-dimethoxybutanoate
IUPAC: methyl 4,4-dimethoxybutanoate
現地名: 4,4-ジメトキシブタン酸メチルエステル
英語名: Methyl 4 4-dimethoxybutyrate 97
分子式: C7H14O4
分子量: 162.18

名称と別名

methyl 4,4-dimethoxybutanoateRefChem:815669834-603-24220-66-04,4-Dimethoxybutanoic Acid Methyl EsterMethyl 4,4-dimethoxybutyrateMFCD02683436C7H14O4NSC5163744,4-dimethoxybutyric acid methyl estermethyl4,4-dimethoxybutanoateSCHEMBL322568

名称をさらに表示

4,4-ジメトキシブタン酸メチルエステル4,4-ジメトキシ酪酸メチルNSC 516374Methyl 4 4-dimethoxybutyrate 97Methyl 4,4-dimethoxybutyrate 97%Butanoic acid, 4,4-diMethoxy-, Methyl ester4,4-dimethoxy-Butanoic acid methyl ester (9CI ACI)Succinaldehydic Acid Methyl Ester 4-(DiMethyl Acetal)Butanoic acid, 4,4-dimethoxy-, methyl ester (9CI, ACI)

methyl 4,4-dimethoxy-butyrateCS-WAA0013methyl 4,4-dimethoxy-butanoateDTXSID80325708MMRXJPOAPCEDLP-UHFFFAOYSA-NEAA22066Methyl 4,4-dimethoxybutyrate, 97%AKOS000319904

データベース識別子

CAS: 4220-66-0
PubChem CID: 350846
DTXSID: DTXSID80325708
EC Number: 834-603-2
Nikkaji: J2.235.354C

物性

構造計算による物性

XLogP: 0.3
極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 11
形式電荷: 0
複雑度: 109

物理化学的性質

沸点: 40 · 40-50 °C0.2 mm Hg(lit.)
比重(密度): 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.417(lit.)
闪点: 185 °F · 185 °F
貯蔵温度: 2 · Storage temp. 2-8°C
溶解性: ジクロロメタン
外見: 油
色: 茶色
InChI: 1S/C7H14O4/c1-9-6(8)4-5-7(10-2)11-3/h7H,4-5H2,1-3H3
InChIKey: MMRXJPOAPCEDLP-UHFFFAOYSA-N
SMILES: COC(CCC(=O)OC)OC

化学的性質

化学的特性Brown Oil

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

安全データ

wgk: 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用4,4-Dimethoxybutanoic Acid Methyl Ester (cas# 4220-66-0) is a compound useful in organic synthesis.

一般的な説明Methyl 4,4-dimethoxybutyrate (methyl 4,4-dimethoxybutanoate) can be prepared by the electrochemical ring-opening of furan-2-carboxylic acid in the presence of methanol and using graphite electrode.