Basic information
- CAS
6252-35-3- Standard SMILES
CC1=CCC(C(C)(O)CO)CC1- InChIKey
ZJALAEQNHJQSTN-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Uroterpenol
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol
- English name
- 2-(4-methyl-3-cyclohexen-1-yl)propane-1,2-diol
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Uroterpenol6252-35-34-Menth-1-ene-8,9-diolP-menth-1-ene-8,9-diolPara-menth-1-ene-8,9-diolRefChem:99547228-373-72-(4-methylcyclohex-3-en-1-yl)propane-1,2-diolCCRIS 71342-(4-Methyl-3-cyclohexen-1-yl)propane-1,2-diolEINECS 228-373-7p-Mentha-1-en-8,9-diol
Show more names
1,2-Propanediol, 2-(4-methyl-3-cyclohexen-1-yl)-
SCHEMBL8743853DTXSID00978114NS00044362
Database identifiers
- CAS
6252-35-3- PubChem CID
- 93024
- DTXSID
DTXSID00978114- EC Number
- 228-373-7
- Nikkaji
- J13.491K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 125 · 125-128 °C(Press: 8 Torr)
- Density
- 1.0388 g/cm3 · 1.0388 g/cm3(Temp: 25 °C)
- pka
- 14.28 · 14.28±0.29(Predicted)
- LogP
- 1.33 · 1.330 (est)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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