Ethylmalonic acid

HCID 11756CAS 601-75-2
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기본 정보

표준 SMILES
CCC(C(=O)O)C(=O)O
InChIKey
UKFXDFUAPNAMPJ-UHFFFAOYSA-N
분자식
C5H8O4
평균 분자량
132.11 g/mol
단동위원소 질량
132.04225873

이름 및 식별자

우선 이름
Ethylmalonic acid
IUPAC
2-ethylpropanedioic acid
영어명
ETHYLMALONIC ACID
분자식
C5H8O4
분자량
132.11

이름 및 동의어

ETHYLMALONIC ACID601-75-22-ethylpropanedioic acidPropanedioic acid, ethyl-1,1-Propanedicarboxylic acidalpha-Carboxybutyric acid432NF49DFG2-ethyl-propanedioic acidCHEBI:741548NSC-96615DTXSID00208842RefChem:596788
이름 더 보기
2-EthylmalonicaciRARECHEM DK HD C012EthylmalonicAcid>Malonic acid, ethyl-2-ethylpropanedioateEthyl propoinic acidEthylmalonicacid,98%Ethylmalonic acid 97%
DTXCID50131333210-007-22-Ethylmalonic acidethylpropanedioic acidethylmalonateMalonic acid, ethyl-MFCD00002668.alpha.-Carboxybutyric acid

데이터베이스 식별자

CAS
601-75-2
PubChem CID
11756
DTXSID
DTXSID00208842
ChEMBL
CHEMBL1160009
ChEBI
CHEBI:741548
UNII
432NF49DFG
EC Number
210-007-2
Nikkaji
J134.569I

물성

구조 계산 물성

XLogP
0.4
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
9

실험 및 물리화학적 성질

Solubility712.0 mg/mL
Melting Point112 - 114 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
112 · 112-114 °C (lit.)
끓는 점
292.77 °C · 292.77°C (rough estimate)
밀도
1.5633 · 1.5633 (rough estimate)
굴절률
1.4016 · 1.4016 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

white to faintly pink crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.7%)

독성 정보

Health EffectsChronically high levels of ethylmalonic acid are associated with at least 2 inborn errors of metabolism including: Short Chain Acyl CoA Dehydrogenase Deficiency (SCAD Deficiency) and Ethylmalonic Encephalopathy.
Toxicity SummaryEthylmalonic acid is identified in the urine of patients with short-chain acyl-coenzyme A dehydrogenase deficiency, which is a fatty acid metabolism disorder.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
3
HS 번호
29171990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

약리 정보

Tissue LocationsFibroblasts；Placenta；Prostate；Skeletal Muscle
Cellular LocationsExtracellular；Membrane

용도 및 제조

UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.

응용 분야

용도Ethylmalonic acid is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

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