4-(1-Methylethoxy)benzoic acid
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- Melting point
- 161 °C
- logP
- 2.17Crippen 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 irritation85.7% of notifiers
Aggregated from 7 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
13205-46-4SMILES
CC(C)Oc1ccc(C(=O)O)cc1InChIKey
ZVERWTXKKWSSHH-UHFFFAOYSA-NInChI
InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzoic acid, 4-(1-methylethoxy)-
- Benzoic acid, p-isopropoxy-
- 4-Isopropoxybenzoic acid
- 4-(Isopropyloxy)benzoic acid
- p-Isopropoxybenzoic acid
- 4-(2-Propyloxy)benzoic acid
- NSC 16646
- 4-[(Propan-2-yl)oxy]benzoic acid
Work with 4-(1-Methylethoxy)benzoic acid
Similar compounds
3-Isopropoxybenzoic acid60772-67-066 % similar
4-(Difluoromethoxy)benzoic acid4837-20-164 % similar
4,4′-Oxybis[benzoic acid]2215-89-662 % similar
p-Anisic acid100-09-459 % similar
Terephthalic acid100-21-056 % similar
1,4-Diisopropoxybenzene7495-78-556 % similar
4-Phenoxybenzoic acid2215-77-255 % similar
4-Isopropylbenzoic acid536-66-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.