Back to Search
Molecule
Farnesol
CAS: 4602-84-0 · C15H26O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4602-84-0
- Molecular Formula
- C15H26O
- Molecular Mass
- 222.37 g/mol
Identifiers
CAS Registry Number
4602-84-0
SMILES
CC(C)=CCCC(C)=CCCC(C)=CCO
InChI Key
CRDAMVZIKSXKFV-UHFFFAOYSA-N
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
Names and Synonyms
- Farnesol Common Name
- 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- Synonym
- Farnesol Synonym
- 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol Synonym
- Farnesyl alcohol Synonym
- FCI 119a Synonym
- NSC 60597 Synonym
- Nikkosome Synonym
- 3,7,11-Trimethyl-2,6,10-dodecen-1-ol Synonym
- CSU 1806 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.37 g/mol | CAS Common Chemistry |
| 222.37199999999996 g/mol | RDKit | |
| 222.372 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8871 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Farnesol | CAS Common Chemistry |
| Boiling Point | 110-113 °C | CAS Common Chemistry |
| Canonical SMILES | OCC=C(C)CCC=C(C)CCC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CRDAMVZIKSXKFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Farnesol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.397900000000004 | RDKit |
| 4.3979 | RDKit | |
| 4.74 | chempirical lib | |
| Molar Refractivity | 72.49880000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 222.198365452 g/mol | RDKit |
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
Convert
Quick conversion
MW = 222.37 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H26O.
