4-Methyloxepan-4-ol
Basic information
- CAS
1394040-51-7- Standard SMILES
CC1(O)CCCOCC1- InChIKey
XLUYKIQGHIHLBX-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 4-Methyloxepan-4-ol
- IUPAC
- 4-methyloxepan-4-ol
- English name
- 4-methyloxepan-4-ol
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
4-methyloxepan-4-ol1394040-51-74-Methyl-4-oxepanol4-Oxepanol, 4-methyl-DTXSID201314915UFC04051AKOS014412329CS-0231129EN300-107174
Database identifiers
- CAS
1394040-51-7- PubChem CID
- 65079481
- DTXSID
DTXSID201314915
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.9
Physicochemical properties
- Boiling point
- 213.4 · 213.4±8.0 °C(Predicted)
- Density
- 0.996 · 0.996±0.06 g/cm3(Predicted)
- pka
- 15.03 · 15.03±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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