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Molecule
Geraniol
CAS: 106-24-1 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106-24-1
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
106-24-1
SMILES
CC(C)=CCC/C(C)=C/CO
InChI Key
GLZPCOQZEFWAFX-JXMROGBWSA-N
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
Names and Synonyms
- Geraniol Synonym
- 2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)- Synonym
- 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- Synonym
- (2E)-3,7-Dimethyl-2,6-octadien-1-ol Synonym
- Geraniol Synonym
- Geranyl alcohol Synonym
- Lemonol Synonym
- trans-3,7-Dimethyl-2,6-octadien-1-ol Synonym
- trans-Geraniol Synonym
- β-Geraniol Synonym
- (E)-Geraniol Synonym
- (E)-Nerol Synonym
- (E)-3,7-Dimethyl-2,6-octadien-1-ol Synonym
- NSC 9279 Synonym
- MosquitoSafe Synonym
- 3,7-Dimethyl-trans-2,6-octadien-1-ol Synonym
- (E)-3,7-Dimethyl-2,6-octadienol Synonym
- Geraniol BJ Synonym
- Geraniol 60 Synonym
- Geraniol 980 Synonym
- trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene Synonym
- TT 4228 Synonym
- TT 4302 Synonym
- Geraniol super Synonym
- (E)-3,7-Dimethyl-2,6-octadien-1-ol Synonym
- Geraniol Supra Synonym
- ZIF-77 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8894 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Geraniol | CAS Common Chemistry |
| Canonical SMILES | OCC=C(C)CCC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ | CAS Common Chemistry |
| InChI Key | InChIKey=GLZPCOQZEFWAFX-JXMROGBWSA-N | CAS Common Chemistry |
| Melting Point | <-15 °C | CAS Common Chemistry |
| Name | Geraniol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.6714000000000016 | RDKit |
| 2.6714 | RDKit | |
| Molar Refractivity | 49.50780000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
| Boiling Point | 230 °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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MW = 154.25 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
