2,2-ジヒドロキシマロン酸

Dihydroxymalonic acid

HCID 68412CAS 560-27-0

基本情報

標準SMILES: O=C(O)C(O)(O)C(=O)O
InChIKey: VUCKYGJSXHHQOJ-UHFFFAOYSA-N
分子式: C3H4O6
平均分子量: 136.06 g/mol
単同位体質量: 136.00078785

概要

Dihydroxymalonic acid is this compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. It is a dicarboxylic acid and a 1,1-diol.

名称と識別子

優先名称: Dihydroxymalonic acid
IUPAC: 2,2-dihydroxypropanedioic acid
現地名: 2,2-ジヒドロキシマロン酸
英語名: Ketomalonic acid monohydrate
分子式: C3H4O6
分子量: 136.06

名称と別名

Dihydroxymalonic acid560-27-02,2-dihydroxypropanedioic acidPropanedioic acid, dihydroxy-UNII-OT429C180HOT429C180HEINECS 209-208-8MESOXALIC ACID, HYDRATEDTXSID70905078MESOXALIC ACID HYDRATE [MI]PROPANEDIOIC ACID, OXO-, HYDRATEPROPANEDIOIC ACID, 2,2-DIHYDROXY-

名称をさらに表示

2,2-ジヒドロキシマロン酸HYDROXYTARTRONIC ACIDHYDROXYTARTRONIC ACID 99%MESOXALIC ACID MONOHYDRATEOXOMALONIC ACID MONOHYDRATEKetomalonic acid monohydrateMESOXALIC ACID MONOHYDRATE 99%OXOMALONIC ACID MONOHYDRATE 99%KETOMALONIC ACID MONOHYDRATE 99%

RefChem:133995DTXCID501334180209-208-8MESOXALIC ACID HYDRATEVUCKYGJSXHHQOJ-UHFFFAOYSA-N2,2-Dihydroxymalonic acidDihydroxypropanedioic acidsodium 2,2-dihydroxymalonate

データベース識別子

CAS: 560-27-0
PubChem CID: 68412
DTXSID: DTXSID70905078
ChEBI: CHEBI:143542
UNII: OT429C180H
EC Number: 209-208-8
Nikkaji: J96.104C

物性

構造計算による物性

XLogP: -1.8
極性表面積: 115 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 130

物理化学的性質

沸点: 474 · 474.0±45.0 °C(Predicted)
比重(密度): 2.181 · 2.181±0.06 g/cm3(Predicted)
貯蔵温度: 20 °C · −20°C
酸解離定数(Pka): 1.03 · 1.03±0.36(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

上流・下流製品情報

上流原料

rac-(R*)-2,3-ジヒドロキシプロパナール

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