Sodium 2-methylbutan-2-olate

HCID 2733478CAS 14593-46-5

基本情報

標準SMILES: CCC(C)(C)[O-].[Na+]
InChIKey: CGRKYEALWSRNJS-UHFFFAOYSA-N
分子式: C5H11NaO
平均分子量: 110.13 g/mol
単同位体質量: 110.07075925

名称と識別子

優先名称: Sodium 2-methylbutan-2-olate
IUPAC: sodium 2-methylbutan-2-olate

名称と別名

14593-46-5Sodium 2-methylbutan-2-olate2-Butanol, 2-methyl-, sodium saltUNII-51Z39PY5Z851Z39PY5Z8EINECS 238-639-4DTXSID4044583EC 238-639-4RefChem:183624DTXCID2024583238-639-4Sodium tert-pentoxide

名称をさらに表示

Sodium tert-Amylatesodium;2-methylbutan-2-olateSodium tert-amoxideMFCD00064245tert-Amyl alcohol sodium saltsodium t-amylateSodium t-amyloxideSodium tert-Pentylate

データベース識別子

CAS: 14593-46-5
PubChem CID: 2733478
DTXSID: DTXSID4044583
UNII: 51Z39PY5Z8
EC Number: 238-639-4
Nikkaji: J241.320E

物性

構造計算による物性

極性表面積: 23.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 43

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H228 (82.1%): Flammable solid [Danger Flammable solids]；H251 (88.4%): Self-heating; may catch fire [Danger Self-heating substances and mixtures]；H312+H332 (16.5%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]；H312 (68.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (69.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (68.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (68.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P235, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P362+P364, P363, P370+P378, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 224 reports by companies from 13 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

Regulatory Information · 3 件

Chemical: 2-Butanol, 2-methyl-, sodium salt

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10166

Hazard Classes and CategoriesFlam. Sol. 1 (82.1%)；Self-heat. 1 (88.4%)；Acute Tox. 4 (68.8%)；Skin Corr. 1B (100%)；Eye Dam. 1 (69.6%)；Acute Tox. 4 (68.8%)；STOT SE 3 (68.8%)