Sodium 2-methylbutan-2-olate

HCID 2733478CAS 14593-46-5

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(C)(C)[O-].[Na+]
InChIKey: CGRKYEALWSRNJS-UHFFFAOYSA-N
Molecular formula: C5H11NaO
Average molar mass: 110.13 g/mol
Monoisotopic mass: 110.07075925

Names & identifiers

Preferred name: Sodium 2-methylbutan-2-olate
IUPAC: sodium 2-methylbutan-2-olate

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 23.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 43

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)