CAS 563-96-2 Glyoxylic acid, monohydrate (HCID 15620607)

基本情報

CAS: 563-96-2
標準SMILES: O.O=CC(=O)O
InChIKey: MOOYVEVEDVVKGD-UHFFFAOYSA-N
分子式: C2H4O4
平均分子量: 92.05 g/mol
単同位体質量: 92.01095861

名称と識別子

優先名称: Glyoxylic acid, monohydrate
IUPAC: oxaldehydic acid;hydrate
現地名: グリオキシル酸一水和物
英語名: Glyoxylic acid monohydrate
分子式: C2H4O4
分子量: 92.05

名称と別名

Glyoxylic acid monohydrate6000-59-5Acetic acid, oxo-, hydrate (2:1)RefChem:663968Glyoxylic acid, monohydrate2-oxoacetic acid hydrate563-96-2Glyoxylic Acid Hydrate1152495-30-1oxaldehydic acid;hydrateOxoacetic Acid MonohydrateGlyoxalic acid monohydrate

名称をさらに表示

グリオキシル酸一水和物グリオキシル酸一水和物オキソ酢酸一水和物GAGLYOXALIC ACIDACETIC ACID, OXO-Dihydroxyacetic acidOxoethanoic acid2-OXOETHANOIC ACIDFormylformic acidGlyoxylic acid monohGlyoxylic acidmonohy

2-oxoacetic acid monohydrate2-OxoaceticAcidglyoxalic acid hydrateoxaldehydic acid hydrateMFCD00149497oxoacetate monohydrate2-oxoaceticacidhydrateglyoxylic acid-hydrate

データベース識別子

CAS: 563-96-2、6000-59-5
PubChem CID: 15620607
DTXSID: DTXSID30575892
EC Number: 679-230-4

物性

構造計算による物性

極性表面積: 55.4 Å²
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: 1
重原子数: 6
形式電荷: 0
複雑度: 55.9

物理化学的性質

融点: 49 · 49-52 °C(lit.)
沸点: 100 °C · 100 °C(lit.)
比重(密度): 1.33 g/mL · 1.33 g/mL at 20 °C
屈折率: 20 · n20/D 1.414
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 2 O: · H2O: 0.1 g/mL、透明
酸解離定数(Pka): 3.43 · 3.43±0.11(Predicted)
外見: 液体
色: 白色～淡黄色
水溶解度: 溶けやすい
Merck: 14 · 14,4511
BRN: 969535 · 969535
化粧品成分の機能: バッファリングヘアウェーブとヘアストレート帯電防止
InChI: 1S/C2H2O3.H2O/c3-1-2(4)5;/h1H,(H,4,5);1H2
InChIKey: MOOYVEVEDVVKGD-UHFFFAOYSA-N
SMILES: [H]O[H].[H]C(=O)C(O)=O
CAS データベース: 563 · 563-96-2(CAS DataBase Reference)

化学的性質

white to light yellow crystalline powder or chunks

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (14.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Acetic acid, dihydroxy-

Status: Active Update: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33655

Acetic acid, dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Glyoxylic acid, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Glyoxylic acid

Hazard Classes and CategoriesSkin Corr. 1B (14.5%)

安全データ

F: 3
wgk: 1
tsca: Yes
rtecs: MD4550000
ridadr: UN 3265 8/PG 2
hs_code: 29183000
risk_code: 34-43-41
hazard_code: C,Xi
safety_code: 26-36/37/39-45-37/39-24-27
hazard_class: 8
packing_group

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明Glyoxylic acid monohydrate is a versatile chemical used in various pharmaceuticals, agrochemicals, and cosmetics industries. It is commonly used as an intermediate in producing chemicals like vanillin, amino acids, and herbicides. It should be stored in a cool, dry place away from oxidizing agents and sources of ignition. Glyoxylic acid monohydrate may cause severe skin burns and eye damage, so it is essential to follow proper safety guidelines when handling it. The environmental impact of this product is minimal if it is disposed of according to local regulations.

使用Occurs in unripe fruit and in young green leaves; has also been found in very young sugar beets.