Compound: CITRONELLAL
SMILES: O=CCC(CCC=C(C)C)C
InChIKey: NEHNMFOYXAPHSD-UHFFFAOYSA-N
Synonyms: CITRONELLAL, 106-23-0, 3,7-Dimethyloct-6-enal, 3,7-Dimethyl-6-octenal, 6-Octenal, 3,7-dimethyl-, 2,3-Dihydrocitral, Citronella, Citronellel, beta-Citronellal, 3,7-Dimethyl-6-octen-1-al, FEMA No. 2307, DTXSID3041790, QB99VZZ7GZ, NSC-46106, CHEBI:47856, DTXCID1021790, RefChem:32709, 203-376-6, Rhodinal, (+/-)-Citronellal, CITRONELLOL,(D), .beta.-Citronellal, NSC 46106, (+/-)-3,7-Dimethyl-6-octenal, MFCD00038090, 3,7-dimethyl-oct-6-enal, ( inverted exclamation markA)-Citronellal, 3,7-dimethyloct-6-en-1-al, NSC46106, 3,7-dimethyl-, Citronellal Extra Rhodinal, D-Rhodinal, rac-Citronellal (>90%), Rhodinal (VAN), Citronella (natural), 3,7-Dimethyloct-6-enal 6-Octenal, HSDB 594, essential oil obtained from the herbs of the plant, EINECS 203-376-6, UNII-QB99VZZ7GZ, citric, natural isolate, AI3-00203, CCRIS 8421, (?-Citronellal, beta -Citronellal, racemic citronellal, (RS)-citronellal, (+/-) citronellal, Citronellal (Standard), 6-Octenal,7-dimethyl-, CITRONELLAL [MI], CITRONELLAL [FCC], CITRONELLAL [FHFI], CITRONELLAL [HSDB], Epitope ID:112868, EC 203-376-6, 3,7-dimethyl- Citronellal, SCHEMBL29275, CHEMBL447944, GTPL6300, orb1299256, SCHEMBL3724907, FEMA 2307, HY-N7126R, HMS5084L22, HY-N7126, Tox21_301195, c1026, EBC-46203, MSK3347-100A, s5585, SBB068490, AKOS000121405, (+/-)-Citronellal, >=85%, FG, CCG-266248, CS-W010931, FC33220, (+/-)-Citronellal, analytical standard, NCGC00248328-01, NCGC00255093-01, AS-54400, CAS-106-23-0, (+/-)-Citronellal, >=95.0% (GC), 2,3-Dihydrocitral 3,7-Dimethyl-6-octenal, DB-040680, DB-072650, C3648, NS00077383, EN300-21458, C17384, Citronellal Solution in Acetonitrile, 100ug/mL, P50009, (+/-)-Citronellal, natural, >=85%, FCC, FG, F818159, Q61651085, Z104497952, 2,3-Dihydrocitral 3,7-Dimethyl-6-octenal 3,7-Dimethyloct-6-enal 6-Octenal, InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H
Theoretical properties:
molecular_formula: C10H18O
molecular_weight: 154.25 g/mol
exact_mass: 154.135765193 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 5
heavy_atom_count: 11
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Needles or orthorhombic crystals
color: Needles or orthorhombic crystals
odor: Intense lemon-citronella-rose odor
boiling_point: 205 °C
melting_point: 147 °C
density: 0.853 g/cu cm at  20 °C
solubility: Slightly soluble in water
flash_point: 165 °F (74 °C) (CLOSED CUP)
vapor_pressure: 0.28 [mmHg]
Descriptions:
pubchem: Citronellal is a monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. It has a role as a metabolite and an antifungal agent. It is an aldehyde and a monoterpenoid.
chebi: A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Citronellal or rhodinal (C10H18O) is a monoterpenoid aldehyde, the main component in the mixture of terpenoid chemical compounds that give citronella oil its distinctive lemon scent.
Citronellal is a main isolate in distilled oils from the plants Cymbopogon (excepting C. citratus, culinary lemongrass), lemon-scented gum, and lemon-scented teatree. The (S)-(−)-enantiomer of citronellal makes up to 80% of the oil from kaffir lime leaves and is the compound responsible for its characteristic aroma.
Citronellal has insect repellent properties, and research shows high repellent effectiveness against mosquitoes. Another research shows that citronellal has strong antifungal qualities.