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Molecule record

tert-Butanol

C4H10O

74.12 g/mol

2D structure for tert-Butanol

Molecular properties

Formula
C4H10O
Molar mass
74.12 g·mol−1
Exact mass
74.0732 Da
0
1
1
20.20 Ų
0.5 (PubChem computed XLogP3-AA descriptor)
CAS
75-65-0
PubChem CID
6386

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol

Physical properties

PropertyValueConditionsSource
Logp0.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1,1-Dimethylethanol
  • 2-Methyl-2-propanol
  • 2-Methylpropan-2-ol
  • 2-Propanol, 2-methyl-
  • 75-65-0
  • Alcool butylique tertiaire
  • Arconol
  • Butanol tertiaire
Show all 21 synonyms
  • Methanol, trimethyl-
  • T-BUTYL ALCOHOL
  • Tertiary-Butyl Alcohol
  • Trimethyl carbinol
  • Trimethyl methanol
  • Trimethylcarbinol
  • Trimethylmethanol
  • t-Butanol
  • t-Butyl alchohol
  • t-Butyl hydroxide
  • tert-Butyl alcohol
  • tertiary Butyl Alcohol
  • tertiary butanol

Structure identifiers

Canonical SMILES
CC(C)(C)O
Isomeric SMILES
CC(C)(C)O
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
PubChem CID
6386

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for tert-Butanol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for tert-Butanol; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record