에틸 피루브산
Ethyl pyruvate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
617-35-6- 표준 SMILES
CCOC(=O)C(C)=O- InChIKey
XXRCUYVCPSWGCC-UHFFFAOYSA-N- 분자식
- C5H8O3
- 평균 분자량
- 116.11 g/mol
- 단동위원소 질량
- 116.04734412
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 물성보충 중
- XLogP
- 0.4
- 극성 표면적
- 43.4 Ų
- 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
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
144.00 °C. @ 760.00 mm Hg
144 °C
Melting Point-50 °C
Refractive Index1.403-1.409
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
화학 및 산업
약리 정보
Mechanism of Action
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
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPropanoic acid, 2-oxo-, ethyl ester: ACTIVE
응용 분야
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
관련 반응
327건
화합물 노트
불러오는 중…