2-(2-Ethylphenoxy)acetic acid
Basic information
- CAS
1798-03-4- Standard SMILES
CCc1ccccc1OCC(=O)O- InChIKey
DIJUOSYHQYABQM-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-(2-Ethylphenoxy)acetic acid
- IUPAC
- 2-(2-ethylphenoxy)acetic acid
- English name
- (2-ETHYL-PHENOXY)-ACETIC ACID
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
2-(2-ethylphenoxy)acetic acidRefChem:453808843-697-41798-03-4(2-Ethyl-phenoxy)-acetic acidAcetic acid,2-(2-ethylphenoxy)-MFCD03152495Acetic acid, 2-(2-ethylphenoxy)-(2-ethylphenoxy)acetic acidNSC407962Enamine_0026152-(2-ethylphenoxy)aceticacid
Show more names
SCHEMBL266662SCHEMBL6633645DTXSID10324906HMS1401G19AKOS000103347NSC-407962IDI1_006962SY131176
Database identifiers
- CAS
1798-03-4- PubChem CID
- 348579
- DTXSID
DTXSID10324906- EC Number
- 843-697-4
- Nikkaji
- J1.605.450J
Properties
Computed structural properties
- XLogP
- 2.5
- 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
LogP2.53
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 296.4 · 296.4±15.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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