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Molecule
1-Decanol
CAS: 112-30-1 · C10H22O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-30-1
- Molecular Formula
- C10H22O
- Molecular Mass
- 158.29 g/mol
Identifiers
CAS Registry Number
112-30-1
SMILES
CCCCCCCCCCO
InChI Key
MWKFXSUHUHTGQN-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
Names and Synonyms
- 1-Decanol Systematic Name
- Antak Synonym
- 1-Decanol Synonym
- Decyl alcohol Synonym
- Capric alcohol Synonym
- Caprinic alcohol Synonym
- n-Decyl alcohol Synonym
- Nonylcarbinol Synonym
- Sipol L 10 Synonym
- Alfol 10 Synonym
- T 148 Synonym
- n-Decanol Synonym
- Decanol Synonym
- Epal 10 Synonym
- 1-Hydroxydecane Synonym
- Royaltac Synonym
- Kalcohl 10H Synonym
- Conol 10N Synonym
- Nacol 10-99 Synonym
- Kalcohl 1098 Synonym
- Nacol 10 Synonym
- Nafol 10 Synonym
- NSC 406313 Synonym
- Kalcol 1098 Synonym
- Nafol 10D Synonym
- Kalcohl 10 Synonym
- Conol 1098 Synonym
- Lorol C 10-98 Synonym
- Capryl alcohol Synonym
- Lorol C 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.29 g/mol | CAS Common Chemistry |
| 158.285 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8297 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Decanol | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MWKFXSUHUHTGQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6.4 °C | CAS Common Chemistry |
| Name | 1-Decanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.119400000000002 | RDKit |
| 3.1194 | RDKit | |
| Molar Refractivity | 49.69580000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 158.167065324 g/mol | RDKit |
| Boiling Point | 232.9 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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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Quick conversion
MW = 158.29 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22O.
