4-Butoxybenzeneacetic acid
Properties
- Molecular formula
- C12H16O3
- Molar mass
- 208.26 g/mol
- Exact mass
- 208.1099 Da
- Melting point
- 88.5 °C
- Boiling point
- 86–87 °C (at 1 Torr)
- logP
- 2.49Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 6
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 46 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
4547-57-3SMILES
CCCCOc1ccc(CC(=O)O)cc1InChIKey
KLJMYYFCWBVKEE-UHFFFAOYSA-NInChI
InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzeneacetic acid, 4-butoxy-
- Acetic acid, (p-butoxyphenyl)-
- 4-n-Butoxybenzeneacetic acid
- 4-Butoxyphenylacetic acid
- (p-Butoxyphenyl)acetic acid
- 4-n-Butoxyphenylacetic acid
- 2-(4-Butoxyphenyl)acetic acid
Work with 4-Butoxybenzeneacetic acid
Similar compounds
4-Ethoxybenzeneacetic acid4919-33-972 % similar
Bufexamac2438-72-462 % similar
4-Butoxybenzoic acid1498-96-060 % similar
(4-Methoxyphenyl)acetic acid104-01-858 % similar
4-Butoxybenzenemethanol6214-45-558 % similar
4-Benzyloxyphenylacetic acid6547-53-156 % similar
1,4-Benzenediacetic acid7325-46-455 % similar
4-Ethoxybenzenepropanoic acid4919-34-054 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds