Phenoxyacetic acid

C8H8O3CAS 122-59-8152.15 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
98.5 °C
Boiling point
285 °C
Water solubility
1–5 g/L (17.2 °C)
logP
1.15Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 198 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
122-59-8
SMILES
O=C(O)COc1ccccc1
InChIKey
LCPDWSOZIOUXRV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Acetic acid, 2-phenoxy-
  • Acetic acid, phenoxy-
  • 2-Phenoxyacetic acid
  • Glycolic acid phenyl ether
  • Phenoxyethanoic acid
  • POA
  • NSC 9810
  • 2-Phenyloxyacetic acid

Work with Phenoxyacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium phenoxyacetate3598-16-1Salt

Similar compounds

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-680 % similar 2-(4-Phenylphenoxy)acetic acid13333-86-379 % similar (4-(Phenylmethoxy)phenoxy)acetic acid38559-92-174 % similar 1,2-Phenylenedioxydiacetic acid5411-14-368 % similar 2-(3-Methylphenoxy)acetic acid1643-15-867 % similar (4-Hydroxyphenoxy)acetic acid1878-84-867 % similar 3-Phenoxypropionic acid7170-38-967 % similar 4-Chlorophenoxyacetic acid122-88-365 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3',4'-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 ortho-Vanillin148-53-8 4-Hydroxyphenylacetic acid156-38-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia