4-Phenoxybutyric acid
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- Melting point
- 59.5 °C
- Boiling point
- 180–185 °C (at 12 Torr)
- logP
- 1.93Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation55.6% of notifiers
Aggregated from 9 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
6303-58-8SMILES
O=C(O)CCCOc1ccccc1InChIKey
YKYVPFIBWVQZCE-UHFFFAOYSA-NInChI
InChI=1S/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Butanoic acid, 4-phenoxy-
- Butyric acid, 4-phenoxy-
- 4-Phenoxybutanoic acid
- γ-Phenoxybutyric acid
- NSC 43294
- NSC 64178
Work with 4-Phenoxybutyric acid
Similar compounds
3-Phenoxypropionic acid7170-38-980 % similar
Phenoxyacetic acid122-59-863 % similar
4-Phenylbutyric acid1821-12-159 % similar
Benzenepentanoic acid2270-20-458 % similar
δ-Oxobenzenepentanoic acid1501-05-957 % similar
9-Phenylnonanoic acid16269-06-056 % similar
8-Phenyloctanoic acid26547-51-356 % similar
7-Phenyl heptanoic acid40228-90-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.