Methylmalonic Acid

METHYLMALONIC ACID · 2-Methylmalonic acid · AI315327 · onic acid · NSC 25201 · AI3 15327 · AI3-15327 · Methylmalonic

식별자 및 물리적 특성

CAS No.	1215348-94-9
분자식	C4H6O4
평균 분자량	118.09 g/mol
단동위원소 질량	118.02660867 g/mol
SMILES	CC(C(=O)O)C(=O)O
InChIKey	ZIYVHBGGAOATLY-UHFFFAOYSA-N
PubChem CID	487
ChEMBL	CHEMBL1232416
ChEBI	CHEBI:30860
EC No.	208-219-5
DTXSID	DTXSID00199549

화학 및 물리적 성질

XLogP	0.1
극성 표면적	74.6
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	8
형식 전하	0
복잡도	103
용해도	679000679.0 mg/mLDMSO(약간 용해됨), 메탄올(약간 용해됨)
녹는점	135135 °C128-130 °C (lit.)
Physical Description	Solid
Dissociation Constants	3.12 (at 20 °C)
끓는 점	272.71°C (rough estimate)
밀도	1.45
굴절률	1.4304 (estimate)
인화점	2℃
저장 조건	Sealed in dry,Room Temperature
물리적 상태	결정성 분말
pKa(산도 계수)	3.07, 5.76(at 25℃)
색상	하얀색
비중	1.455
pH	3.23(1 mM solution)2.6(10 mM solution)2.05(100 mM solution)
용해도	녹는
BRN	1756084
InChI	1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChIKey	ZIYVHBGGAOATLY-UHFFFAOYSA-N
SMILES	CC(C(O)=O)C(O)=O
NIST	Methylmalonic acid(516-05-2)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 5.4% (3 of 56) of reports.WarningH315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (94.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 56 reports by companies.There are 5 notifications provided by 53 of 56 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.
Hazard Classes and Categories	Skin Irrit. 2 (94.6%)Eye Irrit. 2 (94.6%)STOT SE 3 (92.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
건강 영향	Chronically high levels of methylmalonic acid are associated with at least 5 inborn errors of metabolism including: Malonyl CoA decarboxylase deficiency, Malonic Aciduria, Methylmalonate Semialdehyde Dehydrogenase Deficiency, Methylmalonic Aciduria and Methylmalonic Aciduria Due to Cobalamin-Related Disorders.
독성 요약	Methylmalonic acid is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. Accumulation of Methylmalonic acid in the body has been shown to be toxic.
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
수질 위해 등급(WGK)	3
RTECS 번호	OO1400000
운송 번호(UN)	UN 1648 3 / PGII
관세 코드	29171900
위험 문구(R)	36/37/38-36-20/21/22-11
위험 표시	Xi,Xn,F
안전 문구(S)	26-36/37-16
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2-Methylpropanedioic acid binds with coenzyme A to form methylmalonyl-CoA, also a metabolic intermediate transformed to succinic acid (SA) by a vitamin B12-dependent catalytic step, and is broadly used as a clinical biomarker of functional vitamin B12 status.

일반 설명

Methylmalonic acid is an indicator of vitamin B12 deficiency and methylmalonic acidemia. This Certified Spiking Solution is suitable for use in preparation of calibrators or controls in clinical and diagnostic testing using GC/MS or LC/MS.