ortho-Vanillin
Properties
- Molecular formula
- C8H8O3
- Molar mass
- 152.15 g/mol
- Exact mass
- 152.0473 Da
- Density
- 1.2065 g/mL (at 50.6 °C)
- Melting point
- 44.5 °C
- Boiling point
- 265.5 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed65.2% of notifiers
- H315 Causes skin irritation93.9% of notifiers
- H317 May cause an allergic skin reaction28.8% of notifiers
- H318 Causes serious eye damage28.8% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation63.6% of notifiers
Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
148-53-8SMILES
COc1cccc(C=O)c1OInChIKey
JJVNINGBHGBWJH-UHFFFAOYSA-NInChI
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Benzaldehyde, 2-hydroxy-3-methoxy-
- m-Anisaldehyde, 2-hydroxy-
- o-Vanillin
- 2-Hydroxy-3-methoxybenzaldehyde
- 6-Formylguaiacol
- 3-Methoxy-2-hydroxybenzaldehyde
- 3-Methoxysalicylaldehyde
- 6-Formyl-2-methoxyphenol
- 2-Hydroxy-m-anisaldehyde
- NC 005
- 2-Vanillin
- NSC 2150
- 2-Hydroxyl-3-methoxybenzaldehyde
- o-Vaniline
Work with ortho-Vanillin
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methoxybenzaldehyde135-02-465 % similar
3-Ethoxysalicylaldehyde492-88-664 % similar
2,3-Dimethoxybenzaldehyde86-51-164 % similar
2-Hydroxy-3,4-dimethoxybenzaldehyde19283-70-663 % similar
Syringol91-10-162 % similar
2-Chloro-3-methoxybenzaldehyde54881-49-162 % similar
2-Fluoro-3-methoxybenzaldehyde103438-88-660 % similar
2-Hydroxy-6-methoxybenzaldehyde700-44-757 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.