3,5-Diisopropylsalicylic acid
Properties
- Molecular formula
- C13H18O3
- Molar mass
- 222.28 g/mol
- Exact mass
- 222.1256 Da
- Melting point
- 118.5 °C
- logP
- 3.34Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation11.4% 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
2215-21-6SMILES
CC(C)c1cc(C(=O)O)c(O)c(C(C)C)c1InChIKey
XUFUYOGWFZSHGE-UHFFFAOYSA-NInChI
InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-
- Salicylic acid, 3,5-diisopropyl-
- 2-Hydroxy-3,5-bis(1-methylethyl)benzoic acid
- 3,5-Diisopropyl-2-hydroxybenzoic acid
- 2-Hydroxy-3,5-diisopropylbenzoic acid
- 2-Hydroxy-3,5-bis(propan-2-yl)benzoic acid
Work with 3,5-Diisopropylsalicylic acid
Similar compounds
2,4,6-Tris(1-methylethyl)benzoic acid49623-71-463 % similar
4-Isopropylbenzoic acid536-66-345 % similar
3,5-Dibromosalicylic acid3147-55-544 % similar
1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-244 % similar
2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-243 % similar
Dipropofo2416-95-743 % similar
3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-641 % similar
2-Hydroxy-1,3-benzenedicarboxylic acid606-19-941 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.