1,2-Cyclohexanedimethanol
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Basic information
- CAS
15753-50-1- Standard SMILES
OCC1CCCCC1CO- InChIKey
XDODWINGEHBYRT-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 1,2-Cyclohexanedimethanol
- IUPAC
- [2-(hydroxymethyl)cyclohexyl]methanol
- English name
- cis-1,2-Cyclohexanedimethanol
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
1,2-Cyclohexanedimethanol3971-29-71,2-Bis(hydroxymethyl)cyclohexaneRefChem:71761XDODWINGEHBYRT-UHFFFAOYSA-Ncyclohexane-1,2-diyldimethanol[2-(hydroxymethyl)cyclohexyl]methanoltrans-1,2-Bis(hydroxymethyl)cyclohexane1,2 cyclohexanedimethanoltrans-1,2-CyclohexanedimethanolMFCD19300921NSC401686
Show more names
Einecs 239-843-64-Chlor-cyclohexenLurasidone Impurity 611,4-CyclohexasnedimethanolCyclohexane-1β,2β-dimethanolcis-1,2-cyclohexyl dimethanolcis-1,2-Cyclohexanedimethanol(1R)-1β,2β-Cyclohexanedimethanolcis-1,2-Cyclohexanedimethanol,98%(1R,2S)-1,2-Cyclohexanedimethanol
1,2-dimethylol cyclohexaneSCHEMBL33424SCHEMBL1030424SCHEMBL5362903SCHEMBL6435101SCHEMBL6438991DTXSID70935698(1R-trans)-1,2-Cyclohexanedimethanol; (1R,2R)-1,2-Bis(hydroxymethyl)cyclohexane
Database identifiers
- CAS
15753-50-1、3971-29-7- PubChem CID
- 85902
- DTXSID
DTXSID70935698- Nikkaji
- J79.892D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.3
Physicochemical properties
- Melting point
- 43 · 43-45 °C(lit.)
- Boiling point
- 112 °C/0.6mmHg · 112°C/0.6mmHg(lit.)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly, Sonicated), Methanol (Slightly)
- form
- Solid
- pka
- 14.75 · 14.75±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- InChIKey
- XDODWINGEHBYRT-OCAPTIKFSA-N
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29061990 · 29061990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29061990
- safety_code
- 24/25
Chemistry & industry
Applications
Usescis-1,2-Cyclohexanedimethanol was used in the synthesis of 9-{[(Z)-2(hydroxymethyl)cyclohexyl]methyl}guanine.
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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