2-(3-Ethylphenoxy)acetic acid
Basic information
- CAS
1878-51-9- Standard SMILES
CCc1cccc(OCC(=O)O)c1- InChIKey
UPXZHPLISDBGJG-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-(3-Ethylphenoxy)acetic acid
- IUPAC
- 2-(3-ethylphenoxy)acetic acid
- English name
- (3-ETHYL-PHENOXY)-ACETIC ACID
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
2-(3-ethylphenoxy)acetic acid1878-51-9DTXSID90368666RefChem:251520DTXCID40319704(3-ethylphenoxy)acetic acid(3-Ethyl-phenoxy)-acetic acidAcetic acid, 2-(3-ethylphenoxy)-MFCD03980935Enamine_005284Acetic acid,2-(3-ethylphenoxy)-m-ethyl phenoxyacetic acid
Show more names
2-(3-ethylphenoxy)aceticacidSCHEMBL765937CHEMBL3249301HMS1409A04BAA87851BBL023123SBB080395STL069427
Database identifiers
- CAS
1878-51-9- PubChem CID
- 2437245
- DTXSID
DTXSID90368666- ChEMBL
CHEMBL3249301- Nikkaji
- J1.605.500J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
LogP2.3
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 309.2 · 309.2±17.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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