(-)-Citronellal - CAS 5949-05-3
Catalog: |
BB030404 |
Product Name: |
(-)-Citronellal |
CAS: |
5949-05-3 |
Synonyms: |
(S)-(-)-Citronellal; (S)-3,7-Dimethyloct-6-enal; (3S)-3,7-dimethyloct-6-enal |
IUPAC Name: | (3S)-3,7-dimethyloct-6-enal |
Description: | (-)-Citronellal is the s-isomer of (R)-Citronellal, a natural insect repellant. (-)-Citronellal (a monoterpene) was found to activate human olfactory receptor OR1A2 at the mRNA and protein levels resulting in reduced cell proliferation and reduced hepatocellular carcinoma progression. |
Molecular Weight: | 154.25 |
Molecular Formula: | C10H18O |
Canonical SMILES: | CC(CCC=C(C)C)CC=O |
InChI: | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1 |
InChI Key: | NEHNMFOYXAPHSD-JTQLQIEISA-N |
Boiling Point: | 208.4±9.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.8±0.1 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 2.95790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
25513961 | 20150115 | Monoterpene (-)-citronellal affects hepatocarcinoma cell signaling via an olfactory receptor | Archives of biochemistry and biophysics |
22401662 | 20120504 | A piperidine chiron for the Veratrum alkaloids | The Journal of organic chemistry |
22679871 | 20120501 | Contact and fumigant toxicity of Cyperus rotundus steam distillate constituents and related compounds to insecticide-susceptible and -resistant Blattella germanica | Journal of medical entomology |
22390338 | 20120321 | Nature-inspired total synthesis of (-)-fusarisetin A | Journal of the American Chemical Society |
22024770 | 20111207 | Concise formal synthesis of (-)-7-deoxyloganin via N-heterocyclic carbene catalysed rearrangement of α,β-unsaturated enol esters | Organic & biomolecular chemistry |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.135765193 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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