(2-Methylphenoxy)acetic acid
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 153–154 °C
- Boiling point
- above 150 °C
- logP
- 1.46Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 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
1878-49-5SMILES
Cc1ccccc1OCC(=O)OInChIKey
QJVXBRUGKLCUMY-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Acetic acid, 2-(2-methylphenoxy)-
- Acetic acid, (o-tolyloxy)-
- Acetic acid, (2-methylphenoxy)-
- 2-(2-Methylphenoxy)acetic acid
- o-Cresoxyacetic acid
- 2-(o-Tolyloxy)acetic acid
- o-Cresyloxyacetic acid
- o-Tolyloxyacetic acid
- (o-Methylphenoxy)acetic acid
- o-Cresolglycolic acid
- NSC 5293
- 2-[(2-Methylphenyl)oxy]acetic acid
- 2-Methylphenyloxyacetic acid
Work with (2-Methylphenoxy)acetic 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
Similar compounds
2,3-Xylyloxyacetic acid2935-63-974 % similar
1,2-Phenylenedioxydiacetic acid5411-14-373 % similar
2-(2,6-Dimethylphenoxy)acetic acid13335-71-268 % similar
2-(2-Methoxyphenoxy)acetic acid1878-85-966 % similar
2,4-Xylyloxyacetic acid13334-49-165 % similar
2,5-Xylyloxyacetic acid7356-41-465 % similar
O-Bromophenoxyacetic acid1879-56-763 % similar
MCPA94-74-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.