Butanoic acid, 2-(3-pentadecylphenoxy)-
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Basic information
- CAS
14230-52-5- Standard SMILES
CCCCCCCCCCCCCCCc1cccc(OC(CC)C(=O)O)c1- InChIKey
MTBHDSNPUORPTN-UHFFFAOYSA-N- Molecular formula
- C25H42O3
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.3133952
Names & identifiers
- Preferred name
- Butanoic acid, 2-(3-pentadecylphenoxy)-
- IUPAC
- 2-(3-pentadecylphenoxy)butanoic acid
- English name
- 2-(3-pentadecylphenoxy)butyric acid
- Molecular formula
- C25H42O3
- Molecular weight
- 390.59918
Names & synonyms
2-(3-pentadecylphenoxy)butanoic acid14230-52-5Butanoic acid, 2-(3-pentadecylphenoxy)-EINECS 238-100-3DTXSID30884734RefChem:122082DTXCID101024161MTBHDSNPUORPTN-UHFFFAOYSA-N2-(3-Pentadecylphenoxy)butyric acidSCHEMBL4810429NS000519192-(m-Pentadecylphenoxy)butanoic acid
Database identifiers
- CAS
14230-52-5- PubChem CID
- 85701
- DTXSID
DTXSID30884734- EC Number
- 238-100-3
- Nikkaji
- J59.934D
Properties
Computed structural propertiesFilling in
- XLogP
- 10.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-(3-Pentadecylphenoxy)butyric acid (14230-52-5)
- 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 InformationButanoic acid, 2-(3-pentadecylphenoxy)-: INACTIVE
Related reactions
3 records
Compound notes
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