Pyruvic aldehyde dimethyl acetal

1,1-Dimethoxypropan-2-one · 2,2-DiMethoxypropanal · PYRUVIC ALDEHYDE DIMETHYL ACETAL · 1,1-DIMETHOXYACETONE · 2-Propanone, 1,1-dimethoxy- · METHYLGLYOXAL DIMETHYL ACETAL · Pyruvic aL · Pyruvaldehyde 1

https://huagongshe.com/ko/chemical/80650

식별자 및 물리적 특성

CAS No.	6342-56-9
분자식	C5H10O3
평균 분자량	118.13 g/mol
단동위원소 질량	118.06299418 g/mol
SMILES	COC(OC)C(C)=O
InChIKey	ULVSHNOGEVXRDR-UHFFFAOYSA-N
PubChem CID	80650
EC No.	228-735-4
DTXSID	DTXSID6064244

화학 및 물리적 성질

XLogP	-0.2
극성 표면적	35.5
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	8
형식 전하	0
복잡도	75.7
물질 분류	Other Classes -> Acetals
증기압	8.48 [mmHg]11hPa at 20℃
Physical Description	Clear dark yellow liquid[Sigma-Aldrich MSDS]
녹는점	-57 °C
끓는 점	143-147 °C(lit.)
밀도	0.976 g/mL at 25 °C(lit.)
굴절률	n20/D 1.398(lit.)
인화점	100 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	액체
색상	무색~황색으로 투명함
용해도	혼용 가능
BRN	1560557
InChI	1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3
InChIKey	ULVSHNOGEVXRDR-UHFFFAOYSA-N
SMILES	COC(OC)C(C)=O
LogP(분배 계수)	-0.199 (est)
NIST	2-Propanone, 1,1-dimethoxy-(6342-56-9)
EPA	2-Propanone, 1,1-dimethoxy- (6342-56-9)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 2-Propanone, 1,1-dimethoxy-Status: Active Update: 05-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16767Pyruvaldehyde 1,1-dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A skin and strong eye irritant[Sigma-Aldrich MSDS] See Methyl propyl ketone.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 1224 3/PG 3
관세 코드	29145000
위험 문구(R)	10-36/38
위험 표시	Xi
안전 문구(S)	26-36-16
포장분류	III
위험 등급	3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
기존화학 물질	KE-11096
저장 분류	3 - Flammable liquids

용도

Methylglyoxal 1,1-dimethyl acetal was used in the synthesis of methylglyoxal via hydrolysis in the presence of H2SO4. It was used to investigate the effects of methylglyoxal-mediated glycation on the structure, thermal stability and enzyme activity of yeast enolase in vivo.