Basic information
- CAS
106065-09-2- Standard SMILES
COCCCOCCCOC(=O)c1ccccc1- InChIKey
ISWDUEFJGJHOCL-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- Propanol, (2-methoxymethylethoxy)-, benzoate
- IUPAC
- 3-(3-methoxypropoxy)propyl benzoate
Names & synonyms
Propanol, (2-methoxymethylethoxy)-, benzoate106065-09-2RefChem:8695563-(3-methoxypropoxy)propyl BenzoateDTXSID30909890ISWDUEFJGJHOCL-UHFFFAOYSA-N
Database identifiers
- CAS
106065-09-2- PubChem CID
- 176017
- DTXSID
DTXSID30909890
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 212
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanol, (2-methoxymethylethoxy)-, benzoate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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