Sesamol
Properties
- Molecular formula
- C7H6O3
- Molar mass
- 138.12 g/mol
- Exact mass
- 138.0317 Da
- Melting point
- 65.8 °C
- Boiling point
- 135–140 °C (at 13 Torr)
- pKa
- 9.79
- logP
- 1.12Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation83.9% of notifiers
- H319 Causes serious eye irritation82.3% of notifiers
- H335 May cause respiratory irritation82.3% of notifiers
Aggregated from 62 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
533-31-3SMILES
Oc1ccc2c(c1)OCO2InChIKey
LUSZGTFNYDARNI-UHFFFAOYSA-NInChI
InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1,3-Benzodioxol-5-ol
- Phenol, 3,4-(methylenedioxy)-
- 5-Hydroxy-1,3-benzodioxole
- 3,4-(Methylenedioxy)phenol
- 4-Hydroxy-1,2-methylenedioxybenzene
- NSC 59256
- 1,3-Dioxaindan-5-ol
- 2H-1,3-Benzodioxol-5-ol
Work with Sesamol
Similar compounds
5-Bromo-1,3-benzodioxole2635-13-456 % similar
Piperonyl alcohol495-76-152 % similar
Benzodioxol-5-amine14268-66-750 % similar
3,4-Dimethoxyphenol2033-89-850 % similar
Benzo-1,3-dioxole-5-carbonitrile4421-09-450 % similar
1-Iodo-3,4-methylenedioxybenzene5876-51-750 % similar
5-Methyl-1,3-benzodioxole7145-99-550 % similar
5-Chloro-1,3-benzodioxole7228-38-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.