Compound: 2-METHYL-2-BUTANOL
SMILES: OC(CC)(C)C
InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N
Synonyms: 2-METHYL-2-BUTANOL, tert-Amyl alcohol, 75-85-4, 2-Methylbutan-2-ol, Amylene hydrate, tert-Pentyl alcohol, tert-Pentanol, t-Amyl alcohol, 2-Butanol, 2-methyl-, Ethyldimethylcarbinol, t-Pentyl alcohol, 1,1-Dimethyl-1-propanol, Dimethylethylcarbinol, tert-Isoamyl alcohol, 3-Methylbutan-3-ol, Dimethyl ethyl carbinol, Ethyl dimethyl carbinol, 2-Methyl butanol-2, Amylenum hydratum, Amylalkohol, tertiaerer, NSC-25498, DTXSID0041436, 69C393R11Z, DTXCID8021436, CHEBI:132750, RefChem:557962, 200-908-9, methyl butanol, tert-amylalcohol, tert-n-Amyl alcohol, 3-Methyl-butanol-(3), MFCD00004478, NSC 25498, tertiary amyl alcohol, Methyl-2 butanol-2, Methyl-3 butanol-3, Amylene hydrate (NF), Amylene hydrate [NF], 2-Methyl-butan-2-ol, 2-BUTANOL,2-METHYL, C2H5C(CH3)2OH, 25-85-4, Amylene hydrate [USAN], HSDB 5005, 3-Methyl-butanol-(3) [German], EINECS 200-908-9, BRN 1361351, tertpentanol, Amylenhydrat, amylene-hydrate, tertamyl alcohol, AI3-24191, UNII-69C393R11Z, tert-amyl-alcohol, tert. amylalcohol, tert.-amylalcohol, t-Amyl, alcohol-, tert.-amyl alcohol, tertiary amylalcohol, 2-methyl-2butanol, t-AmOH, 1,1-dimethylpropanol, Amylene hydrate, USAN, methyl-tert-butyl alcohol, EC 200-908-9, 3-Hydroxy-3-methyl butane, SCHEMBL10721, SCHEMBL23062, SCHEMBL51804, SCHEMBL97628, 4-01-00-01668 (Beilstein Handbook Reference), CHEMBL44658, PENTYL ALCOHOL, TERT-, SCHEMBL270578, SCHEMBL270674, AMYLENE HYDRATE [HSDB], 2M2B, SCHEMBL6806497, SCHEMBL9021723, SCHEMBL9631192, AMYLENE HYDRATE [MART.], SCHEMBL10435883, TERT-PENTYL ALCOHOL [MI], WLN: QX2&1&1, HMS3264I17, Pharmakon1600-01301017, NSC25498, Tox21_302356, EBC-48184, MSK000909, NSC760354, AKOS000119037, CCG-213670, MSK000909-100M, NSC-760354, CAS-75-85-4, tert-Pentyl alcohol 2-Methyl-2-butanol, 2-methyl-2-butanol (tert-amyl alcohol), 2-Methyl-2-butanol, analytical standard, MSK000909-1000M, NCGC00166208-01, NCGC00255665-01, 2-Methyl-2-butanol, anhydrous, >=99%, 2-Methyl-2-butanol, ReagentPlus(R), 99%, NS00007184, P0059, EN300-19309, tert-Pentanol Solution in Methanol, 100ug/mL, 2-Methyl-2-butanol, ReagentPlus(R), >=99%, C21401, D02931, E80408, R00313, tert-Pentanol Solution in Methanol, 1000ug/mL, AB01563165_01, Q209428, 2-Methyl-2-butanol 100 microg/mL in Acetonitrile, BRD-K93502141-001-01-6, F0001-1906, Z104473496, InChI=1/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H, 5A800302-5F41-4E10-9197-D3B0BD85C237, t-Amyl Alchohol, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C5H12O
molecular_weight: 88.15 g/mol
exact_mass: 88.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 6
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Characteristic odor
boiling_point: 102.4 °C at 760 mm Hg
melting_point: -9.1 °C
density: 0.8096 at 20 °C/4 °C
solubility: Solubility in water: 12.1%wt at 20 °C; 11.0%wt at 25 °C; 10.1%wt at 30 °C
flash_point: 67 °F (NFPA, 2010)
vapor_pressure: 16.8 [mmHg]
Descriptions:
pubchem: 2-methylbutan-2-ol is a tertiary alcohol that is propan-1-ol in which both of the hydrogens at position 1 have been replaced by methyl groups. It has a role as a protic solvent. It is an aliphatic alcohol and a tertiary alcohol.
chebi: A tertiary alcohol that is propan-1-ol in which both of the hydrogens at position 1 have been replaced by methyl groups.
chembl: AMYLENE HYDRATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: tert-Amyl alcohol (TAA) or 2-methylbutan-2-ol (2M2B), is a branched pentanol.
Historically, TAA has been used as an anesthetic and more recently as a recreational drug. TAA is mostly a positive allosteric modulator for GABAA receptors in the same way as ethanol. The psychotropic effects of TAA and ethanol are similar, though distinct. Impact on coordination and balance are proportionately more prominent with TAA, which is significantly more potent by weight than ethanol. Its appeal as an alternative to ethanol may stem from its lack of a hangover (due to different metabolic pathways) and the fact that it is often not detected on standard drug test.
TAA is a colorless liquid with a burning flavor and an unpleasant odor similar to paraldehyde with a hint of camphor. TAA remains liquid at room temperature, making it a useful alternative solvent to tert-butyl alcohol.