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Molecule
(±)-2-Butanol
CAS: 15892-23-6 · C4H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15892-23-6
- Molecular Formula
- C4H10O
- Molecular Mass
- 74.12 g/mol
Identifiers
CAS Registry Number
15892-23-6
SMILES
CCC(C)O
InChI Key
BTANRVKWQNVYAZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
Names and Synonyms
- (±)-2-Butanol Synonym
- 2-Butanol Synonym
- sec-Butyl alcohol Synonym
- CCS 301 Synonym
- sec-Butanol Synonym
- Ethylmethyl carbinol Synonym
- 2-Hydroxybutane Synonym
- Methylethylcarbinol Synonym
- 3-Butanol Synonym
- 1-Methyl-1-propanol Synonym
- 1-Methylpropyl alcohol Synonym
- s-Butanol Synonym
- s-Butyl alcohol Synonym
- dl-sec-Butanol Synonym
- dl-Methylethylcarbinol Synonym
- DL-Butan-2-ol Synonym
- (±)-2-Butanol Synonym
- Racemic-2-butanol Synonym
- NSC 25499 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.12 g/mol | CAS Common Chemistry |
| 74.12299999999999 g/mol | RDKit | |
| 74.123 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8063 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 99.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BTANRVKWQNVYAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -114 °C | CAS Common Chemistry |
| Name | (±)-2-Butanol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.7771999999999999 | RDKit |
| 0.7772 | RDKit | |
| Molar Refractivity | 21.971799999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 74.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 74.12 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10O.
