Compound: Citronellol
SMILES: OCCC(CCC=C(C)C)C
InChIKey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Synonyms: Citronellol, 106-22-9, 3,7-Dimethyloct-6-en-1-ol, Cephrol, 3,7-DIMETHYL-6-OCTEN-1-OL, 6-Octen-1-ol, 3,7-dimethyl-, Elenol, Rodinol, 2,3-Dihydrogeraniol, 2,6-Dimethyl-2-octen-8-ol, Citronellol, dl-, Dihydrogeraniol, DTXSID3026726, 565OK72VNF, CHEBI:50462, DTXCID006726, RefChem:29968, Citronellol (ex. Java citronella oil), 203-375-0, 247-737-6, beta-Citronellol, DL-Citronellol, (+/-)-beta-Citronellol, .beta.-Citronellol, C10H20O, 26489-01-0, MFCD00002935, NSC 8779, NSC-8779, 3,7-dimethyl-oct-6-en-1-ol, NSC8779, ST069325, b-citronellol, Insect Repellent, CAS-106-22-9, D-Citronellol;(R)-(+)-beta-Citronellol, (+/-)-beta-Citronellol analytical standard, (+/-)-Citronellol;(+/-)-beta-Citronellol, Citronellol (natural), (+-)-beta-citronellol, (+-)-CITRONELLOL, (R)-(+)-.beta.-Citronellol, nardus, UNII-565OK72VNF, mite attractant, rac-Citronellol, .BETA.-CITRONELLOL, (R)-, CCRIS 7452, Levo-citronellol, 6-Octen-1-ol,3,7-dimethyl-,(3R)-, acyclic monoterpenoid, EINECS 203-375-0, EINECS 247-737-6, pelargonium geraniums, (-)-b-Citronellol, BRN 1721507, geranium oil saponified, Citronellol (Standard), AI3-25080, beta-Citronellol, 95%, (+-)-beta;-Citronellol, EC 203-375-0, (S)-(?)-beta-Citronellol, SCHEMBL21320, 4-01-00-02188 (Beilstein Handbook Reference), 6-Octen-1-ol,7-dimethyl-, MLS002415719, Citronellol mixture of isomers, SCHEMBL538858, 3,7-dimethyl-oct-6-en1-ol, CHEMBL395827, orb1304390, orb3025762, CITRONELLOL, (+/-)-, HSDB 6805, ()-Citronellol;()--Citronellol, .BETA.-CITRONELLOL [MI], MSK3305, WLN: Q2Y1&3UY1&1, beta-CITRONELLOL, (+/-)-, HMS2267B17, HMS6019L07, Citronellol, >=95%, FCC, FG, HY-W010201R, Tox21_202119, Tox21_300003, (+/-)-.BETA.-CITRONELLOL, BBL009826, BDBM50037035, s5584, SBB012357, STK085542, AKOS005393175, CCG-266265, CS-W010917, EBC-152348, HY-W010201, (+/-)-3,7-dimethyl-6-octen-1-ol, (+/-)-3,7-dimethyloct-6-en-1-ol, .BETA.-CITRONELLOL, (+/-)-, NCGC00091348-01, NCGC00091348-02, NCGC00091348-03, NCGC00091348-04, NCGC00254145-01, NCGC00259668-01, AS-14688, BP-21491, FC175239, SMR000112138, SY011260, DB-060123, DB-074976, DB-307766, (+/-)-beta-Citronellol, analytical standard, NS00093536, 6-Octen-1-ol, 3,7-dimethyl-, (+/-)-, EN300-1270486, F791077, Q27122080, Z87001681, (+/-)-beta-Citronellol, primary pharmaceutical reference standard, ( inverted exclamation markA)-|A-Citronellol; 3,7-Dimethyl-6-octen-1-ol
Theoretical properties:
molecular_formula: C10H20O
molecular_weight: 156.26 g/mol
exact_mass: 156.151415257 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 5
heavy_atom_count: 11
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless oily liquid
color: Colorless oily liquid
odor: Fresh rosy odor
boiling_point: 224 °C
melting_point: <-20 °C
density: 0.8550 g/cu cm at 20 °C
solubility: In water, 200 mg/L at 25 °C
vapor_pressure: 0.04 [mmHg]
Descriptions:
pubchem: Citronellol is a monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7. It has a role as a plant metabolite.
chebi: A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.
chembl: CITRONELLOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Citronellol, or dihydrogeraniol, is a natural acyclic monoterpenoid. Both enantiomers occur in nature. (+)-Citronellol, which is found in citronella oils, including Cymbopogon nardus (50%), is the more common isomer. (−)-Citronellol is widespread, but particularly abundant in the oils of rose (18–55%) and Pelargonium geraniums.