Isopropylparaben
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- logP
- 1.96Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed18.1% of notifiers
- H315 Causes skin irritation60.6% of notifiers
- H317 May cause an allergic skin reaction47.1% of notifiers
- H318 Causes serious eye damage18.6% of notifiers
- H319 Causes serious eye irritation76.5% of notifiers
Aggregated from 221 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
4191-73-5SMILES
CC(C)OC(=O)c1ccc(O)cc1InChIKey
CMHMMKSPYOOVGI-UHFFFAOYSA-NInChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 4-hydroxy-, 1-methylethyl ester
- Benzoic acid, p-hydroxy-, isopropyl ester
- p-Hydroxybenzoic acid isopropyl ester
- Isopropyl p-hydroxybenzoate
- Isopropyl 4-hydroxybenzoate
- 4-Hydroxybenzoic acid isopropyl ester
Work with Isopropylparaben
Similar compounds
Isopropyl benzoate939-48-065 % similar
Propan-2-yl 4-aminobenzoate18144-43-964 % similar
Methylparaben99-76-359 % similar
Isobutylparaben4247-02-358 % similar
Ethylparaben120-47-854 % similar
1,1-Dimethylethyl 4-hydroxybenzoate25804-49-354 % similar
Diisopropyl phthalate605-45-852 % similar
Isopropyl salicylate607-85-251 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.