Dimethyl methylmalonate (HCID 69104)

名称と識別子

優先名称: Dimethyl methylmalonate
IUPAC: dimethyl 2-methylpropanedioate
現地名: 2-メチルマロン酸ジメチル
英語名: Dimethyl methylmalonate
分子式: C6H10O4
分子量: 146.14

名称と別名

Dimethyl methylmalonate609-02-9Dimethyl 2-methylmalonatedimethyl 2-methylpropanedioatePropanedioic acid, methyl-, dimethyl ester1,3-dimethyl 2-methylpropanedioateMalonic acid, methyl-, dimethyl esterZG8ZA68IB3EINECS 210-173-6UNII-ZG8ZA68IB3NSC 143779NSC-143779

名称をさらに表示

イソこはく酸ジメチルメチルマロン酸ジメチルエチリデンビス(ぎ酸メチル)2-メチルプロパン二酸ジメチル2-メチルマロン酸ジメチルジメチルマチルマロネートメチルマロン酸Dimethyl isosuccinateEthylidenebis(formic acid methyl) esterIsosuccinic acid dimethylMethylmalonic acid dimethylDimethyl Methylmalonate,>98%imethyl2-methylpropanedioate

Propanedioic acid, 2-methyl-, 1,3-dimethyl esterDTXSID5060564METHYLPROPANEDIOIC ACID DIMETHYL ESTERPropanedioic acid, 2-methyl-, dimethyl esterRefChem:134255DTXCID3042897Malonic acid, methyl-, dimethyl ester (8CI)210-173-6

データベース識別子

CAS: 609-02-9
PubChem CID: 69104
DTXSID: DTXSID5060564
UNII: ZG8ZA68IB3
EC Number: 210-173-6
Nikkaji: J45.105C

物性

構造計算による物性

XLogP: 0.7
極性表面積: 52.6 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: 4
重原子数: 10
形式電荷: 0
複雑度: 125

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

沸点: 176 · 176-177 °C(lit.)
比重(密度): 1.098 g/mL · 1.098 g/mL at 25 °C(lit.)
蒸気圧: 0.2 mm · 0.2 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.414(lit.)
闪点: 169 °F · 169 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
酸解離定数(Pka): 13.08 · 13.08±0.46(Predicted)
比重: 1.1 · approximate 1.10 (20℃)
色: Colourless
InChI: InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3
InChIKey: LRBPFPZTIZSOGG-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(C)C(OC)=O
CAS データベース: 609 · 609-02-9(CAS DataBase Reference)
NISTの化学物質情報: Propanedioic acid, methyl-, dimethyl ester(609-02-9)
EPAの化学物質情報: Propanedioic acid, methyl-, dimethyl ester (609-02-9)

化学的性質

化学的特性colorless to clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 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 (50%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2917198090
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationPropanedioic acid, 2-methyl-, 1,3-dimethyl ester: INACTIVE

応用分野 · 3 件

用途有機合成用原料。

使用Dimethyl methylmalonate is a versatile compound with multiple uses in the chemical industry. It is a key ingredient in the synthesis of flavours and other organic compounds.

一般的な説明Dimethyl methylmalonate is an ester. Microwave-enhanced Pd(0)/acetic acid catalyzed allylation of C, N and O-nucleophiles with dimethyl methylmalonate has been reported.