Basic information
- CAS
22708-14-1- Standard SMILES
CCCCCOC(=O)c1ccccc1OC- InChIKey
TYLMQMJLOUNOGK-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Benzoic acid, 2-methoxy-, pentyl ester
- IUPAC
- pentyl 2-methoxybenzoate
- English name
- pentyl o-anisate
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28022
Names & synonyms
Benzoic acid, 2-methoxy-, pentyl esterRefChem:565659Pentyl o-anisate22708-14-1o-Methoxybenzoic acid, pentyl esterPentyl 2-methoxybenzoateEINECS 245-166-7Pentyl 2-methoxybenzoate #SCHEMBL1987850SCHEMBL7956545SCHEMBL29709169DTXSID90177235
Show more names
2-Methoxybenzoic acid pentyl ester
NS00027243
Database identifiers
- CAS
22708-14-1- PubChem CID
- 89799
- DTXSID
DTXSID90177235- EC Number
- 245-166-7
- Nikkaji
- J286.277H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
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: Benzoic acid, 2-methoxy-, pentyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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