Methyl 2-phenoxyacetate
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Density
- 1.1493 g/mL (at 20 °C)
- Melting point
- 245 °C
- Boiling point
- 245 °C
- logP
- 1.24Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation98.9% of notifiers
- H319 Causes serious eye irritation98.9% of notifiers
- H335 May cause respiratory irritation98.9% of notifiers
Aggregated from 95 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2065-23-8SMILES
COC(=O)COc1ccccc1InChIKey
BZCKRPHEZOHHBK-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Acetic acid, 2-phenoxy-, methyl ester
- Acetic acid, phenoxy-, methyl ester
- Phenoxyacetic acid methyl ester
- Methyl phenoxyacetate
- NSC 32414
Work with Methyl 2-phenoxyacetate
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
Similar compounds
Phenoxyacetic anhydride14316-61-169 % similar
Ethyl 2-phenoxyacetate2555-49-964 % similar
Methyl phenylacetate101-41-756 % similar
1-Phenoxy-2-propanone621-87-456 % similar
4-Benzyloxyphenylacetic acid methyl ester68641-16-755 % similar
Methyl 3-phenylpropionate103-25-355 % similar
Allyl phenoxyacetate7493-74-554 % similar
Phenoxyacetic acid122-59-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.