Back to Search
Molecule
Cyclohexanedimethanol
CAS: 105-08-8 · C8H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 105-08-8
- Molecular Formula
- C8H16O2
- Molecular Mass
- 144.21 g/mol
Identifiers
CAS Registry Number
105-08-8
SMILES
OCC1CCC(CO)CC1
InChI Key
YIMQCDZDWXUDCA-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2
Names and Synonyms
- Cyclohexanedimethanol Common Name
- 1,4-Cyclohexanedimethanol Synonym
- 1,4-Bis(hydroxymethyl)cyclohexane Synonym
- 1,4-Dimethylolcyclohexane Synonym
- 1,4-Cyclohexamethylenebis(methylol) Synonym
- Rikabinol DM Synonym
- Cyclohex-1,4-ylenedimethanol Synonym
- Vibracure A 240 Synonym
- NSC 44508 Synonym
- CHDM Synonym
- Sky CHDM Synonym
- CHDM-D Synonym
- 1,4-Cyclohexane dimethylol Synonym
- 1,4-Cyclohexanedimethaneol Synonym
- [4-(Hydroxymethyl)cyclohexyl]methanol Synonym
- C 0479 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.21 g/mol | CAS Common Chemistry |
| 144.21399999999997 g/mol | RDKit | |
| 144.214 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0381 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclohexanedimethanol | CAS Common Chemistry |
| Boiling Point | 274 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1CCC(CO)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YIMQCDZDWXUDCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41-61 °C | CAS Common Chemistry |
| Name | 1,4-Cyclohexanedimethanol | CAS Common Chemistry |
| Cyclohexanedimethanol | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.7773999999999999 | RDKit |
| 0.7774 | RDKit | |
| Molar Refractivity | 39.6196 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.115029752 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 = 144.21 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O2.
