기본 정보
- 표준 SMILES
COC(=O)C(C)=O- InChIKey
CWKLZLBVOJRSOM-UHFFFAOYSA-N- 분자식
- C4H6O3
- 평균 분자량
- 102.09 g/mol
- 단동위원소 질량
- 102.03169405
개요
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.
이름 및 식별자
- 우선 이름
- Methyl pyruvate
- IUPAC
- methyl 2-oxopropanoate
- 현지명
- 피루브산메틸
- 영어명
- Methyl pyruvate
- 분자식
- C4H6O3
- 분자량
- 102.09
이름 및 동의어
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
이름 더 보기
피루브산메틸PAMEMethyl acetoformateksbyPYR MEMethyl pyruyateMethylPyruvate>Methylpyruvate,96%
209-987-4MethylpyruvatePyruvic acid methyl estermethyl-PyruvateDTXSID9049326MFCD000087542-oxopropanoic acid methyl esterUNII-3KJM65G5XL
데이터베이스 식별자
- CAS
600-22-6- PubChem CID
- 11748
- DTXSID
DTXSID9049326- ChEMBL
CHEMBL3185405- ChEBI
CHEBI:51850- UNII
- 3KJM65G5XL
- EC Number
- 209-987-4
- Nikkaji
- J483I
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 95.1
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 녹는점
- -22 °C · -22 °C
- 끓는 점
- 134 · 134-137 °C (lit.)
- 밀도
- 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.404(lit.)
- 인화점
- 103 °F · 103 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1.1 g/10mL, · 에탄올: 가용성 1.1g/10mL, 투명, 무색~거의 무색
- 물리적 상태
- 액체
- 색상
- 노란색
- 수용성
- 클로로포름, 메탄올, 에테르, 알코올에 용해됩니다. 물에 약간 용해됩니다.
- Merck
- 14 · 14,8021
- BRN
- 1361953 · 1361953
- InChI
- 1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
- InChIKey
- CWKLZLBVOJRSOM-UHFFFAOYSA-N
- SMILES
- COC(=O)C(C)=O
- LogP
- -0.159 · -0.159 (est)
- NIST
- 2 · Propanoic acid, 2-oxo-, methyl ester(600-22-6)
화학적 성질
Methyl pyruvate is a clear, light yellow, and flammable liquid.
안전 및 규제
GHS 분류
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.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-oxo-, methyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 13-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18742
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%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- HS 번호
- 29183000
- risk_code
- 10
- hazard_code
- Xi,F
- safety_code
- 23-24/25-16
- 포장분류
- III
- 위험 등급
- 3
- F 고인화성물질
- 10-21
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도Methyl 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.
일반 설명Methyl 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.
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추가 설명
정의ChEBI: 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 pyruvate ester and a methyl ester. It derives from a pyruvic acid.
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