Triacetic acid lactone
Properties
- Molecular formula
- C6H6O3
- Molar mass
- 126.11 g/mol
- Exact mass
- 126.0317 Da
- Melting point
- 185 °C
- logP
- 0.65Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
675-10-5SMILES
Cc1cc(O)cc(=O)o1InChIKey
NSYSSMYQPLSPOD-UHFFFAOYSA-NInChI
InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2H-Pyran-2-one, 4-hydroxy-6-methyl-
- Sorbic acid, 3,5-dihydroxy-, δ-lactone
- 4-Hydroxy-6-methyl-2H-pyran-2-one
- 4-Hydroxy-6-methylpyran-2-one
- 4-Hydroxy-6-methyl-α-pyrone
- 4-Hydroxy-6-methyl-2-pyrone
- 6-Methyl-4-hydroxy-2-pyrone
- NSC 34625
- 4-Hydroxy-6-methylpyrone
Work with Triacetic acid lactone
Similar compounds
4,6-Dimethylcoumalin675-09-257 % similar
6-tert-Butyl-4-hydroxy-2H-pyran-2-one857248-84-153 % similar
Noreugenin1013-69-046 % similar
5,7-Dihydroxy-4-methylcoumarin2107-76-846 % similar
6-Hydroxy-4-methylcoumarin2373-31-143 % similar
4-Methylumbelliferone90-33-543 % similar
2,6-Dimethyl-γ-pyrone1004-36-043 % similar
5,7-Dihydroxycoumarin2732-18-538 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.