1-Butanol
Properties
- Molecular formula
- C4H10O
- Molar mass
- 74.12 g/mol
- Exact mass
- 74.0732 Da
- Density
- 0.8098 g/mL (at 20 °C)
- Melting point
- −89.8 °C
- Boiling point
- 117.7 °C
- Critical temperature
- 289.9 °C (563.0 K)ChemSep
- Critical pressure
- 44.23 barChemSep
- Acentric factor
- 0.591ChemSep
- Enthalpy of formation (gas)
- −274.60 kJ/molChemSep
- pKa
- 16.1
- Flash point
- 29 °C (closed cup)
- Water solubility
- 68 g/L (25 °C)
- logP
- 0.78Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
- H226 Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
Harmonised EU classification (CLP Annex VI, index 603-004-00-6), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
71-36-3CCCCOLRHPLDYGYMQRHN-UHFFFAOYSA-NInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3Characterization data
Calculated from the structure, in the form journals print them.
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.62 (t, J = 7.0 Hz, 2H), 2.00 (br s, 1H), 1.63 (quint, J = 7.0 Hz, 2H), 1.27 (sext, J = 7.0 Hz, 2H), 0.86 (t, J = 7.0 Hz, 3H).Predicted ¹³C NMR (101 MHz, CDCl₃) δ 62.7, 35.4, 19.1, 14.0.[M + H]+ Calcd for C4H11O 75.0804[M + Na]+ Calcd for C4H10NaO 97.0624[M − H]− Calcd for C4H9O 73.0659Anal. Calcd for C4H10O: C, 64.82; H, 13.60.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Butyl alcohol
- Butanol
- n-Butanol
- n-Butyl alcohol
- Butyl hydroxide
- CCS 203
- Methylolpropane
- Propylcarbinol
- Hemostyp
- 1-Butyl alcohol
- NSC 62782
Safety data sheets
2 stored sheets list this compound in section 3, matched by the CAS number 71-36-3. Each row opens the sheet with its composition and PDF.
Work with 1-Butanol
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.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.