tert-Butyl alcohol

C₄H₁₀OCAS 75-65-074.12 g/mol

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Properties

Molecular formula: C₄H₁₀O
Molar mass: 74.12 g/mol
Exact mass: 74.0732 Da
Density: 0.8 g/mL
Melting point: 25.7 °C
Boiling point: 82.41 °C
pKa: 19.2
Flash point: 11 °C (closed cup)
Water solubility: miscible (25 °C)
logP: 0.78Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H319 Causes serious eye irritationSerious eye damage/eye irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation

Harmonised EU classification (CLP Annex VI, index 603-005-00-1), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

75-65-0

SMILES

CC(C)(C)O

InChIKey

DKGAVHZHDRPRBM-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

2-Propanol, 2-methyl-
2-Methyl-2-propanol
tert-Butanol
1,1-Dimethylethanol
Trimethylcarbinol
Trimethylmethanol
t-Butanol
2-Hydroxy-2-methylpropane
tert-Bu-OH

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 75-65-0. Each row opens the sheet with its composition and PDF.

tert-Butanol > 95 %Fisher Scientific Company · 2025-12-18

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Work with tert-Butyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Potassium tert-butoxide865-47-4Salt Sodium tert-butoxide865-48-5Salt Lithium tert-butoxide1907-33-1Salt Lithium tri-tert-butoxyaluminum hydride17476-04-9Salt Aluminum tert-butoxide556-91-2Salt Magnesium tert-butoxide32149-57-8Salt

Similar compounds

Zirconium(IV) t-butoxide2081-12-175 % similar tert-Butyl titanate3087-39-675 % similar Pinacol76-09-538 % similar 2,5-Dimethyl-2,5-hexanediol110-03-231 % similar 2,5-Dimethyl-3-hexyne-2,5-diol142-30-331 % similar Pinacol hexahydrate6091-58-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-2-Butanol14898-79-4 (+-)-2-Butanol15892-23-6 (+)-2-Butanol4221-99-2 Methoxypropane557-17-5 2-Methoxypropane598-53-8 Diethyl ether60-29-7 1-Butanol71-36-3 Isobutanol78-83-1

Elsewhere

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