Tetrahydrobenzaldehyde
Properties
- Molecular formula
- C7H10O
- Molar mass
- 110.16 g/mol
- Exact mass
- 110.0732 Da
- Density
- 0.9694 g/mL (at 20 °C)
- Melting point
- 2 °C
- Boiling point
- 105 °C
- Flash point
- 57.2 °C (open cup)
- Water solubility
- slightly soluble
- logP
- 1.54Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation82.7% of notifiers
- H318 Causes serious eye damage11.5% of notifiers
- H319 Causes serious eye irritation88.5% of notifiers
- H335 May cause respiratory irritation90.4% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
100-50-5SMILES
O=CC1CC=CCC1InChIKey
DCFDVJPDXYGCOK-UHFFFAOYSA-NInChI
InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 3-Cyclohexene-1-carboxaldehyde
- 1,2,3,6-Tetrahydrobenzaldehyde
- 3-Cyclohexen-1-aldehyde
- 4-Formylcyclohexene
- 1-Formyl-3-cyclohexene
- Cyclohexene-4-carboxaldehyde
- 1,2,5,6-Tetrahydrobenzaldehyde
- 1-Cyclohexene-4-carboxaldehyde
- (±)-3-Cyclohexene-1-carboxaldehyde
- δ3-Tetrahydrobenzaldehyde
- NSC 16241
- 3-Cyclohexene-1-carbaldehyde
- 3-Cyclohexenylcarboxaldehyde
Work with Tetrahydrobenzaldehyde
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
4-Vinylcyclohexene100-40-352 % similar
Cyclopropanecarboxaldehyde1489-69-648 % similar
Cyclobutanecarboxaldehyde2987-17-943 % similar
Cyclopentanecarboxaldehyde872-53-743 % similar
Cyclohexanecarboxaldehyde2043-61-042 % similar
Cyclooctanecarbaldehyde6688-11-542 % similar
Myrac aldehyde37677-14-840 % similar
Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-838 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds