Ethyl pyruvate (HCID 12041)

개요

Ethyl pyruvate is an oxo carboxylic acid.

이름 및 식별자

우선 이름: Ethyl pyruvate
IUPAC: ethyl 2-oxopropanoate
현지명: 에틸 피루브산
영어명: Ethyl pyruvate
분자식: C5H8O3
분자량: 116.12

이름 및 동의어

ETHYL PYRUVATEEthyl 2-oxopropanoate617-35-6Ethyl 2-oxopropionatePyruvic acid, ethyl esterPYRUVIC ACID ETHYL ESTERPropanoic acid, 2-oxo-, ethyl esterEthyl pyroracemateEthyl acetylformateFEMA No. 2457CTI-012-oxopropanoic acid ethyl ester

이름 더 보기

에틸피루브산에틸피루브산(ETHYLPYRUVATE)에틸파이루베이트Natural Ethyl pyruvatePAEEFEMA 2457ETHYL 2-OXOPROPRIONATEPropanoicacid,2-oxo-,ethylesterPYR ET

Ethyl methylglyoxylate2-oxopropionic acid ethyl esterNSC-48386DTXSID206067403O98E01OBRefChem:139052DTXCID3043104210-511-2

데이터베이스 식별자

CAS: 617-35-6
PubChem CID: 12041
DTXSID: DTXSID2060674
ChEMBL: CHEMBL173373
ChEBI: CHEBI:173421
UNII: 03O98E01OB
EC Number: 210-511-2
Nikkaji: J1.665I

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 106

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical shift

FragrancesFragrance Ingredient (Ethyl pyruvate) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.044-1.065

물리화학적 성질

녹는점: -58 °C · -58 °C
끓는 점: 144 °C · 144 °C (lit.)
밀도: 1.045 g/mL · 1.045 g/mL at 25 °C (lit.)
증기압: 2.36 hPa · 2.36hPa at 25℃
굴절률: 20 · n20/D 1.404(lit.)
FEMA: 2457 · 2457 | ETHYL PYRUVATE
인화점: 114 °F · 114 °F
저장 조건: 2 °C · Store at +2°C to +8°C.
용해도: 10 g/L · 10g/L
물리적 상태: 액체
색상: 맑은 연한 노란색
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 에테르 과일 같은 달콤한 샤프 럼 야채 카라멜
냄새 유형: 미묘한
생물학적 소스: synthetic
수용성: 물, 에탄올, 에테르와 혼합 가능.
Merck: 14 · 14,8021
JECFA Number: 938 · 938
BRN: 1071466 · 1071466
안정성: 휘발성 물질
주요 응용: 향료 및 향
화장품 원료 기능: 피부 컨디셔닝
InChI: 1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
InChIKey: XXRCUYVCPSWGCC-UHFFFAOYSA-N
SMILES: CCOC(=O)C(C)=O
LogP: 0.435 at · 0.435 at 22.5℃
NIST: 2 · Propanoic acid, 2-oxo-, ethyl ester(617-35-6)
EPA: 2 · Propanoic acid, 2-oxo-, ethyl ester (617-35-6)

화학적 성질

Ethyl pyruvate has a vegetable, caramel odor.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1612 reports by companies from 10 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Propanoic acid, 2-oxo-, ethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 03-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26714

Ethyl pyruvate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Pyruvic acid.

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
독성: LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rat > 2000 mg/kg
HS 번호: 29183000
risk_code: 10
hazard_code: Xi,F
safety_code: 16
포장분류: III
위험 등급: 3
기존화학 물질: KE-27650
위험 참고 사항: Flammable/Irritant
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Mechanism of Action · 1건

CTI-01 inhibits the systemic release of cytokines, such as TNF-alpha and HMGB1, which promote the body's inflammatory response. The over-expression of these cytokines has been linked to diseases that occur in critical care settings, such as severe organ damage following cardiopulmonary bypass (CPB) and post-operative ileus following abdominal surgery.

용도 및 제조

UsesUsed as a flavoring agent; [FDA]

Use Classification · 6건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPropanoic acid, 2-oxo-, ethyl ester: ACTIVE

응용 분야 · 3건

출처Reported found in Parmesan cheese, cognac, grape wines, cocoa and mushrooms.

용도Ethyl pyruvate (EP) has demonstrated neuroprotective effects against acute brain injury through its anti-inflammatory action.

일반 설명Ethyl pyruvate is a volatile aliphatic ester of the pyruvate metabolite. It is present as a food additive/odor-active component in various food and beverage products. It is also used as an inhibitory odorant to repel the insects from human proximity.

제조 방법

By direct esterification of pyruvic acid with absolute ethyl alcohol at the boil and subsequent vacuum distillation; by esterification via oxidation of vapors of ethyl lactate in the presence of V2O5 at 155°C

상·하류 제품 정보

상류 원료

하류 제품

5-브로모인돌-2-카르복실산 5-TERT-부틸-1H-인돌-2-카르복실산에틸에스테르 2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carbonitrile 5-아미노인돌 1-메틸-5-니트로-1H-인돌 2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide (2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)methanamine 5-니트로인돌 Ethyl 2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylate Ethyl 2-(4-(ethoxycarbonyl)piperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylate Ethyl 2-(4-(hydroxymethyl)piperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylate 에틸5-니트로인돌-2-카르복실레이트

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通小竹生物医药有限公司18015606981 · [email protected]

연결된 노트

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에틸 피루브산

기본 정보

개요