Basic information
- CAS
554405-58-2- Standard SMILES
CCOc1ccc(OCCCC(=O)O)cc1- InChIKey
ZXZNQXICNJXQOQ-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 4-(4-Ethoxyphenoxy)butanoic acid
- IUPAC
- 4-(4-ethoxyphenoxy)butanoic acid
Names & synonyms
4-(4-ethoxyphenoxy)butanoic acid554405-58-2MFCD039669134-(4-Ethoxy-phenoxy)-butyric acidSMR000151329Enamine_005059MLS0005358424-(4-ethoxyphenoxy)butanoicacidCHEMBL1610520HMS1408F21HMS2417F23EXA40558
Show more names
AKOS000104216IDI1_007646EN300-00225G23896Z56891362
Database identifiers
- CAS
554405-58-2- PubChem CID
- 2392387
- ChEMBL
CHEMBL1610520- EC Number
- 154-810-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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