ピルビン酸メチル
Methyl pyruvate
基本情報
- CAS
600-22-6- 標準SMILES
COC(=O)C(C)=O- InChIKey
CWKLZLBVOJRSOM-UHFFFAOYSA-N- 分子式
- C4H6O3
- 平均分子量
- 102.09 g/mol
- 単同位体質量
- 102.03169405
概要
Methyl pyruvate is a pyruvate ester resultinf grom the formal condensation of the carboxy group of pyruvic acid with the hydroxy group of methanol. It is a methyl ester and a pyruvate ester. It is functionally related to a pyruvic acid.
名称と識別子
- 優先名称
- Methyl pyruvate
- IUPAC
- methyl 2-oxopropanoate
- 現地名
- ピルビン酸メチル
- 英語名
- Methyl pyruvate
- 分子式
- C4H6O3
- 分子量
- 102.09
名称と別名
METHYL PYRUVATE600-22-6Methyl 2-oxopropanoateMethyl 2-oxopropionatePyruvic acid, methyl esterPropanoic acid, 2-oxo-, methyl esterMethylglyoxylic acid methyl ester2-oxo-propionic acid methyl ester3KJM65G5XLNSC-65430CHEBI:51850RefChem:818068
名称をさらに表示
ピルビン酸メチル2-オキソプロパン酸メチルtrans-ピルビン酸メチルcis-ピルビン酸メチル2-オキソプロピオン酸メチルピルビン酸メチル, 98%メチル 2-オキソプロパノアートPAMEksbyPYR MEMethyl pyruyateMethylPyruvate>Methylpyruvate,96%
209-987-4MethylpyruvatePyruvic acid methyl esterDTXSID9049326methyl-Pyruvate2-oxopropanoic acid methyl esterTiapride IntermediatesMETHYL ACETOFORMATE
データベース識別子
- CAS
600-22-6- PubChem CID
- 11748
- DTXSID
DTXSID9049326- ChEMBL
CHEMBL3185405- ChEBI
CHEBI:51850- UNII
- 3KJM65G5XL
- EC Number
- 209-987-4
- Nikkaji
- J483I
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 43.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 95.1
実験および物理化学的性質
SpringerMaterials PropertiesChemical shift
Flavoring AgentsEU Flavoring substances
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
物理化学的性質
- 融点
- -22 °C · -22 °C
- 沸点
- 134 · 134-137 °C (lit.)
- 比重(密度)
- 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.404(lit.)
- 闪点
- 103 °F · 103 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 1.1 g/10mL · エタノール：可溶1.1g/10mL 無色透明～ほぼ無色透明
- 外見
- 液体
- 色
- 黄ばみ
- 水溶解度
- クロロホルム、メタノール、エーテル、アルコールに可溶。水にわずかに溶ける。
- Merck
- 14 · 14,8021
- BRN
- 1361953 · 1361953
- InChI
- 1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
- InChIKey
- CWKLZLBVOJRSOM-UHFFFAOYSA-N
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H226 (92.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Propanoic acid, 2-oxo-, methyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Methyl pyruvate (EC: 209-987-4)
Propanoic acid, 2-oxo-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (92.3%)
安全データ
- F
- 10-21
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29183000
- risk_code
- 10
- 化審法
- (2)-1505
- 消防法
- 危-4-2-III
- hazard_code
- Xi,F
- safety_code
- 23-24/25-16
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Flam. Liq. 3
化学と産業
応用分野
用途有機合成原料。
使用Methyl Pyruvate acts as a potent secretagogue used in the study of stimulus-secretion coupling. Also used in the preparation of quinoxalines as dual phoosphodiesterase 2/10 (PDE2/10) inhibitors. It increases free calcium ion concentration in the cytosol of pancreatic cells. It is used in the preparation of dimethyl 2,3-dimethylenebutanedioate.
一般的な説明Methyl pyruvate is a pyruvic ester. Surface conditions during Pt/silica EUROPT-1 modified by cinchonidine catalyzed by enantioselective hydrogenation of methyl pyruvate to R-(+)-methyl lactate were investigated. Enantioselective hydrogenation of methyl pyruvate over finely dispersed polyvinylpyrrolidone-stabilized and the corresponding alumina-supported iridium clusters modified with cinchonidine was studied. The molecular orientation and conformation of methyl pyruvate on Ni(111) surface has been investigated in the temperature range 105-220K. Methyl pyruvate is reported to stimulate insulin secretion in vitro and in vivo.
上流・下流製品情報
上流原料
関連反応
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