케토이소카프로에이트나트륨

케토이소카프로에이트나트륨 · 4-METHYL-2-OXOVALERIC ACID SODIUM SALT · 4-METHYL-2-OXOPENTANOIC ACID SODIUM SALT · Ketoleucine sodium · Sodium ketoisocaproat · Sodium ketoisocaproate · KETOLEUCINE SODIUM SALT · SodiuM α-oxoisocaproate

https://huagongshe.com/ko/chemical/4137900

식별자 및 물리적 특성

CAS No.	4502-00-5
분자식	C6H9NaO3
평균 분자량	152.12 g/mol
단동위원소 질량	152.04493843 g/mol
SMILES	CC(C)CC(=O)C(=O)[O-].[Na+]
InChIKey	IXFAZKRLPPMQEO-UHFFFAOYSA-M
PubChem CID	4137900
ChEMBL	CHEMBL2142054
EC No.	224-816-3
DTXSID	DTXSID70196363
현지명	케토이소카프로에이트나트륨

화학 및 물리적 성질

극성 표면적	57.2
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	10
형식 전하	0
복잡도	131
용해도	Soluble in waterSoluble (in ethanol)물(약간 용해됨)
Physical Description	White powderslight fruity aroma
녹는점	275 °C (dec.)(lit.)
저장 조건	2-8°C
물리적 상태	고체
색상	흰색에서 황백색까지
냄새	100.00%에서. 부티르산 발레릭 버터리
향취 유형	버터 같은
생물학적 소스	synthetic
JECFA Number	633.1
BRN	4239297
안정성	흡습성
주요 응용	향료 및 향
InChI	1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/q+1/p-1
InChIKey	IXFAZKRLPPMQEO-UHFFFAOYSA-M
SMILES	[Na+].CC(C)CC(=O)C([O-])=O
LogP(분배 계수)	0.17

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Pentanoic acid, 4-methyl-2-oxo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Eye Irrit. 2 (50%)
수질 위해 등급(WGK)	3
안전 문구(S)	24/25-22
위험 등급	Eye Irrit. 2
저장 분류	11 - Combustible Solids

용도

출처

Reported found in banana, asparagus, cheese, white wine, cocoa, blue cheese and provolone cheese.

용도

4-Methyl-2-oxovaleric Acid is an α-ketomonocarboxylic acid that triggers insulin release by acting upon receptor sites which differ from those occupied by amino acids. 4-Methyl-2-oxovaleric Acid is an intermediate in the metabolism of Leucine.