Ethyl 2,4-dioxovalerate (HCID 69208)

이름 및 식별자

우선 이름: Ethyl 2,4-dioxovalerate
IUPAC: ethyl 2,4-dioxopentanoate
영어명: Ethyl 2,4-dioxovalerate
분자식: C7H10O4
분자량: 158.15

이름 및 동의어

Ethyl 2,4-dioxovalerate615-79-2Ethyl acetopyruvatePentanoic acid, 2,4-dioxo-, ethyl esterAI3-01354EINECS 210-447-5DTXSID10210476NSC 1243RefChem:138530DTXCID10132967210-447-5OYQVQWIASIXXRT-UHFFFAOYSA-N

이름 더 보기

erateOxalacetone2,4-dioxovaLAKOS MSC-0252Ethyl pyruvoxalateTIMTEC-BB SBB008612Ethyl dioxovalerate

Ethyl 2,4-dioxopentanoateMFCD000091242,4-dioxo-pentanoic acid ethyl ester2,4-dioxopentanoic acid ethyl esterEthyl acetonoxalateGG3AYJ4ZA3NCIOpen2_001802Ethyl (acetylmethyl)glyoxylate

데이터베이스 식별자

CAS: 615-79-2
PubChem CID: 69208
DTXSID: DTXSID10210476
UNII: GG3AYJ4ZA3
EC Number: 210-447-5
Nikkaji: J7.029G

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 60.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 183

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 16 · 16-18 °C (lit.)
끓는 점: 101 · 101-103 °C/12 mmHg (lit.)
밀도: 1.126 g/mL · 1.126 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.474(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 6.86 · 6.86±0.46(Predicted)
색상: 맑은 노란색
Specific Gravity: 1.126 · 1.126
수용성: 물, 에테르, 클로로포름, 메탄올 및 에탄올과 혼합 가능합니다.
BRN: 607062 · 607062
Dielectric constant: 16.1 · 16.1(19℃)
InChI: 1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
InChIKey: OYQVQWIASIXXRT-UHFFFAOYSA-N
SMILES: CCOC(=O)C(=O)CC(C)=O
NIST: 2 · Ethyl 2,4-dioxovalerate(615-79-2)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPentanoic acid, 2,4-dioxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 3
HS 번호: 29183000
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 23-24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl 2,4-dioxovalerate was used in the preparation of:1H-pyrazolo-[3,4-d]-pyridazin-7(6H)-one core analogpyrazole

일반 설명Assymmmetric hydrogenation of ethyl 2,4-dioxovalerate in the presence of chiral rhodium or ruthenium catalysts yields 2-hydroxy-4-methyltetrahydrofuran-2-one. Ethyl 2,4-dioxovalerate is a potential anti-fungal agent.

상·하류 제품 정보

상류 원료

하류 제품

에틸5-메틸리속사졸-3-카르복실레이트 2-Chloro-6-methylpyridine-4-carboxylic acid 3-아미노-5-메틸피라졸 ETHYL 2-CHLORO-6-METHYLPYRIMIDINE-4-CARBOXYLATE Methyl 2-chloro-6-methylpyridine-4-carboxylate 4-클로로-2,5-디메틸-2H-피라졸-3-카르복실산 5-메틸-2-페닐-2H-피라졸-3-카르복실산 에틸3-시아노-2-하이드록시-6-메틸리소니코티네이트 (5-메틸-3-이속사졸릴)메틸아민 3-CYANO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID 5-메틸-1H-피라졸-3-카르복실산 1,5-디메틸-1H-피라졸-3-카르복실산

공급사50 곳

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연결된 노트

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Ethyl 2,4-dioxovalerate

기본 정보