Carbonic Acid

HCID 767CAS 22719-67-1

基本情報

標準SMILES: O=C(O)O
InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-N
分子式: CH2O3
平均分子量: 62.025 g/mol
単同位体質量: 62.00039392

名称と識別子

優先名称: Carbonic Acid
IUPAC: carbonic acid
英語名: CARBONIC ACID, MONOETHYL ESTER, POTASSIUM SALT
分子式: C3H5KO3
分子量: 128.1683

名称と別名

carbonic acid463-79-6Dihydrogen carbonateH2CO3DTXSID9043801CHEBI:28976Acid, CarbonicRefChem:6524DTXCID7023801610-295-3682-330-0hydroxy ketone

名称をさらに表示

Potassium ethyl carbonateCARBONIC ACID, MONOETHYL ESTER, POTASSIUM SALT

hydroxy-ketoneAcidosancomponent of Col-Evaccarbonicacidcomponent of PrettsdihydroxyketonehydroxyketoneKoehlensaeure

データベース識別子

CAS: 22719-67-1、463-79-6、71-52-3
PubChem CID: 767
DTXSID: DTXSID9043801
ChEBI: CHEBI:28976
EC Number: 610-295-3、682-330-0
Nikkaji: J148.096K

物性

構造計算による物性

XLogP: -0.1
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 4
形式電荷: 0
複雑度: 26

実験および物理化学的性質

Solubility12.8 mg/mL (cold water)

Melting Point720 °C

Physical DescriptionSolid

物理化学的性質

比重(密度): 2.373 g/cm3 · 2.373 g/cm3

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationCarbonic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1 件

The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed) [ChemIDplus]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

法規制情報

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular；Mitochondria

Metabolite Pathways · 1 件

2-Hydroxyglutric Aciduria (D And L Form)；2-ketoglutarate dehydrogenase complex deficiency；2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency；3-Hydroxy-3-Methylglutaryl-CoA Lyase Deficiency；3-hydroxyisobutyric acid dehydrogenase deficiency；3-hydroxyisobutyric aciduria；3-Methylcrotonyl Coa Carboxylase Deficiency Type I；3-Methylglutaconic Aciduria Type I；3-Methylglutaconic Aciduria Type III；3-Methylglutaconic Aciduria Type IV；Total 110 pathways, visit the HMDB page for details