Safranal
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Melting point
- below 25 °C
- Boiling point
- 70 °C
- logP
- 2.49Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed80.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction97.7% of notifiers
- H319 Causes serious eye irritation> 99.9% of notifiers
- H412 Harmful to aquatic life with long lasting effects75.7% of notifiers
Aggregated from 1,700 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
116-26-7SMILES
CC1=C(C=O)C(C)(C)CC=C1InChIKey
SGAWOGXMMPSZPB-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
- 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
- 2,2,6-Trimethyl-4,6-cyclohexadien-1-aldehyde
- 2,6,6-Trimethyl-1,3-cyclohexadiene-1-aldehyde
- 2,6,6-Trimethylcyclohexa-1,3-dienecarboxaldehyde
- 2,6,6-Trimethylcyclohexa-1,3-diene-1-carbaldehyde
- 2,6,6-Trimethylcyclohexa-1,3-dienecarbaldehyde
- 2,3-Dihydro-2,2,6-trimethylbenzaldehyde
Work with Safranal
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
1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one23696-85-747 % similar
Beta-Cyclocitral432-25-741 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.