(+-)-2,6-Dimethyl-5-heptenal
Properties
- Molecular formula
- C9H16O
- Molar mass
- 140.23 g/mol
- Exact mass
- 140.1201 Da
- Density
- 0.845–0.854 g/mL
- Boiling point
- 70–75 °C (at 15 Torr)
- logP
- 2.57Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor86.6% of notifiers
- H317 May cause an allergic skin reaction11.2% of notifiers
Aggregated from 1,898 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
106-72-9SMILES
CC(C)=CCCC(C)C=OInChIKey
YGFGZTXGYTUXBA-UHFFFAOYSA-NInChI
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- (±)-2,6-Dimethyl-5-heptenal
- 5-Heptenal, 2,6-dimethyl-
- 2,6-Dimethyl-5-heptenal
- Melonal
- 2,6-Dimethyl-5-hepten-1-al
- NSC 78450
Work with (+-)-2,6-Dimethyl-5-heptenal
Similar compounds
3,7-Dimethyl-1,6-octadiene2436-90-060 % similar
Citric106-23-052 % similar
(R)-Citronellal2385-77-552 % similar
(S)-(-)-Citronellal5949-05-352 % similar
2-Methylpentaldehyde123-15-948 % similar
Citronellyl nitrile51566-62-247 % similar
Citronellyl formate105-85-146 % similar
Myrac aldehyde37677-14-846 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.