エチルマロン酸

Ethylmalonic acid

HCID 11756CAS 601-75-2
部分構造検索類似構造を探す

基本情報

標準SMILES
CCC(C(=O)O)C(=O)O
InChIKey
UKFXDFUAPNAMPJ-UHFFFAOYSA-N
分子式
C5H8O4
平均分子量
132.11 g/mol
単同位体質量
132.04225873

名称と識別子

優先名称
Ethylmalonic acid
IUPAC
2-ethylpropanedioic acid
現地名
エチルマロン酸
英語名
ETHYLMALONIC ACID
分子式
C5H8O4
分子量
132.11

名称と別名

ETHYLMALONIC ACID601-75-22-ethylpropanedioic acidPropanedioic acid, ethyl-1,1-Propanedicarboxylic acidalpha-Carboxybutyric acid432NF49DFG2-ethyl-propanedioic acidCHEBI:741548NSC-96615DTXSID00208842RefChem:596788
名称をさらに表示
エチルマロン酸2-エチルマロン酸エチルプロパン二酸2-エチルプロパン二酸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

データベース識別子

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

物性

構造計算による物性

XLogP
0.4
極性表面積
74.6 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
3
重原子数
9

実験および物理化学的性質

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

物理化学的性質

融点
112 · 112-114 °C (lit.)
沸点
292.77 °C · 292.77°C (rough estimate)
比重(密度)
1.5633 · 1.5633 (rough estimate)
屈折率
1.4016 · 1.4016 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
DMSO（微量）、メタノール（微量）

化学的性質

化学的特性white to faintly pink crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

毒性情報

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).

安全データ

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

化学と産業

薬理情報

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

用途と製造

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

応用分野

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

上流・下流製品情報

サプライヤー50 社

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]

関連反応

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