Basic information
- CAS
59123-41-0- Standard SMILES
CC1(O)CCCCCCC1- InChIKey
YCICXFIRAMLYDV-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 1-Methylcyclooctanol
- IUPAC
- 1-methylcyclooctan-1-ol
- English name
- 1-Methylcyclooctanol
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
1-MethylcyclooctanolCyclooctanol, 1-methyl-BRN 1920356DTXSID102078664-06-00-00128 (Beilstein Handbook Reference)NSC 103157RefChem:76378DTXCID60130357YCICXFIRAMLYDV-UHFFFAOYSA-N59123-41-01-methylcyclooctan-1-ol1-METHYL CYCLOOCTANOL
Show more names
1-methyl-cyclooctano1-Methylcyclooctanol1-Methylcyclooctanol
NSC-103157NSC103157methyl heptylene carbinolWLN: L8TJ AQ A1SCHEMBL331577SCHEMBL7280131X4C978N8FBMFCD00019725
Database identifiers
- CAS
59123-41-0- PubChem CID
- 97178
- DTXSID
DTXSID10207866- UNII
- X4C978N8FB
- Nikkaji
- J77.897D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- Melting point
- 34 · 34-36 °C
- Boiling point
- 206.3 · 206.3±8.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
- pka
- 15.38 · 15.38±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers7 total
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
PFALTZ-BAUER[email protected]
MPBIO-FINE—
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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