Basic information
- CAS
23495-13-8- Standard SMILES
CCCCC(=O)OCCOc1ccccc1- InChIKey
VTDVFBXXQCGSIB-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Pentanoic acid, 2-phenoxyethyl ester
- IUPAC
- 2-phenoxyethyl pentanoate
- English name
- Pentanoic acid 2-phenoxyethyl ester
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
2-phenoxyethyl pentanoatePentanoic acid, 2-phenoxyethyl ester7YW24WC8TGNSC 21876NSC-21876UNII-7YW24WC8TGAI3-30583DTXSID0066901ETHANOL, 2-PHENOXY-, VALERATEVALERIC ACID, 2-PHENOXYETHYL ESTERRefChem:171441DTXCID6036883
Show more names
VTDVFBXXQCGSIB-UHFFFAOYSA-N23495-13-8PENTANOIC ACID 2-PHENOXYETHYL ESTERSCHEMBL8894132SCHEMBL21834924NSC21876AKOS017010184
Database identifiers
- CAS
23495-13-8- PubChem CID
- 90122
- DTXSID
DTXSID0066901- UNII
- 7YW24WC8TG
- Nikkaji
- J422.117F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- FDA UNII
- 7 YW24WC8TG · 7YW24WC8TG
- EPA Substance Registry System
- 2 · Pentanoic acid, 2-phenoxyethyl ester (23495-13-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanoic acid, 2-phenoxyethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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