Skatole
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- Melting point
- 95 °C
- Boiling point
- 265–266 °C (at 755 Torr)
- logP
- 2.48Crippen estimate
- Polar surface area
- 15.8 Ų
- H-bond donors / acceptors
- 1 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation19.5% of notifiers
- H319 Causes serious eye irritation23% of notifiers
- H335 May cause respiratory irritation19.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects17.5% of notifiers
Aggregated from 400 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
83-34-1SMILES
Cc1c[nH]c2ccccc12InChIKey
ZFRKQXVRDFCRJG-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1H-Indole, 3-methyl-
- Indole, 3-methyl-
- Indole, 3-methyl-(skatole)
- 3-Methyl-1H-indole
- 3-Methylindole
- Scatole
- Skatol
- β-Methylindole
- NSC 122024
Work with Skatole
Similar compounds
5-Fluoro-3-methyl-1H-indole392-13-252 % similar
5-Chloro-3-methylindole71095-42-652 % similar
3-Bromoindole1484-27-150 % similar
3,3′-Diindolylmethane1968-05-450 % similar
Indoxyl480-93-350 % similar
3-Methyl-1H-pyrrolo[2,3-b]pyridine5654-93-348 % similar
3-Cyanoindole5457-28-347 % similar
1,4-Dimethylnaphthalene571-58-446 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.