しゅう酸ジメチル

Dimethyl oxalate

HCID 11120
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基本情報

CAS
553-90-2
標準SMILES
COC(=O)C(=O)OC
InChIKey
LOMVENUNSWAXEN-UHFFFAOYSA-N
分子式
C4H6O4
平均分子量
118.09 g/mol
単同位体質量
118.02660867

概要

Methyl oxalate is a member of dicarboxylic acids and O-substituted derivatives, a methyl ester and a diester. It is functionally related to an oxalic acid.

名称と識別子

優先名称
Dimethyl oxalate
IUPAC
dimethyl oxalate
現地名
しゅう酸ジメチル
英語名
Dimethyl oxalate
分子式
C4H6O4
分子量
118.09

名称と別名

Dimethyl oxalate553-90-2METHYL OXALATEOxalic acid dimethyl esterEthanedioic acid, dimethyl esterDimethyloxalateOxalic acid, dimethyl esterdimethyl ethanedioateMFCD00008442IQ3Q79344SNSC-9374Ethanedioic acid, 1,2-dimethyl ester
名称をさらに表示
しゅう酸ジメチル酸ジメチルエステル蓚酸ジメチルジメチル オキザレート シュウ酸しゅう酸メチル酸ジメチルジメチル＝オキサラートしゅう酸ジメチル, 99%DMOOXALIC ACID METHYL ESTERDimethyl ester of oxalic acid209-053-6CH3OCOCOOCH3Oxalic acid Me
dimethyl ethane-1,2-dioateNSC 9374EINECS 209-053-6UNII-IQ3Q79344SAI3-21214SCHEMBL8295METHYL OXALATE [MI]CHEBI:6859

データベース識別子

CAS
553-90-2
PubChem CID
11120
DTXSID
DTXSID9060287
ChEBI
CHEBI:6859
UNII
IQ3Q79344S
EC Number
209-053-6
Nikkaji
J2.653K

物性

構造計算による物性

XLogP
-0.2
極性表面積
52.6 Ų
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
3
重原子数
8

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other
CosmeticsChelating
SpringerMaterials PropertiesBoiling point
LogP-0.17
Density1.148 @25 °C
Boiling Point163.5 °C @760 [mm Hg]

物理化学的性質

融点
50 · 50-54 °C (lit.)
沸点
163.5 °C · 163.5 °C (lit.)
比重(密度)
1.148 g/mL · 1.148 g/mL at 25 °C (lit.)
蒸気圧
3 hPa · 3 hPa (20 °C)
屈折率
20 · n20/D 1.39(lit.)
闪点
167 °F · 167 °F

化学的性質

化学的特性The empirical formula of dimethyl oxalate is C4H6O4. It exists as a liquid between its pour point (52°C) and boiling point (163.4°C). It is soluble in ethanol and ether and slightly soluble in water.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.5% (1 of 191) of reports.

Danger

H302 (69.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 191 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanedioic acid, dimethyl ester

Ethanedioic acid, 1,2-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanedioic acid, 1,2-dimethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25766

Ethanedioic acid, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Ethanedioic acid, dimethyl ester: Environment tier I assessment
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and Categories · 2 件

Acute Tox. 4 (69.6%)

Acute toxicity - category 4

安全と保護具

Protective Action Criteria (PAC) · 3 件

4.7 [mg/m3]

52 [mg/m3]

310 [mg/m3]

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk
3
tsca
TSCA listed
rtecs
RO2850000
ridadr
1759
hs_code
2917 11 00
risk_code
36/38-36-22

化学と産業

用途と製造

U.S. Production2020: 84,920 lb
Use ClassificationCosmetics -> Chelating
General Manufacturing InformationEthanedioic acid, 1,2-dimethyl ester: ACTIVE
応用分野 · 5 件

用途有機合成原料。

一般的な説明Dimethyl oxalate (DMO), (CH3OCO)2 is an industrial chemical intermediate with versatile properties. DMO is used as a solvent and extraction agent to produce ethylene glycol, ethanol, oxalic acid, oxamide, dyes, and medicines. Besides, dimethyl carbonate (DMC), (CH3O)2CO is attracting lots of interest because of its excellent solubility, biodegradability and low toxicity. DMC could be used as a green solvent, as electrolytes in lithium batteries, as a potential fuel additive and for polycarbonate synthesis[1].

説明Dimethyl oxalate is a chemical compound with formula (CH3)2(COO)2. It is the dimethyl ester of oxalic acid.

使用Dimethyl oxalate is used as an alternate fuel in the direct oxidation fuel cell. It is involved in the catalytic hydrogenation using Cu/SiO22ub> to prepare ethylene glycol. It is also used in the selective gas-phase hydrogenation catalyzed by Ag/SiO2 to get the corresponding alcohol.

一般的な説明Dimethyl oxalate undergoes Cu/SiO2 catalyzed hydrogenation to yield ethylene glycol. It undergoes selective gas-phase hydrogenation catalyzed by Ag/SiO2 to yield corresponding alcohol.

調製方法

純化方法Crystallise the ester repeatedly from EtOH. De-gas it under nitrogen at high vacuum and distil it. [Beilstein 2 IV 1847.]

上流・下流製品情報

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
邹平铭远进出口贸易有限公司18364991597
济南宏嘉化工有限公司15253128188; 15253128188

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