Citronellic acid - CAS 502-47-6
Catalog: |
BB026963 |
Product Name: |
Citronellic acid |
CAS: |
502-47-6 |
Synonyms: |
3,7-dimethyloct-6-enoic acid |
IUPAC Name: | 3,7-dimethyloct-6-enoic acid |
Description: | Citronellic acid (CAS# 502-47-6) is a useful research chemical. |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
Canonical SMILES: | CC(CCC=C(C)C)CC(=O)O |
InChI: | InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12) |
InChI Key: | GJWSUKYXUMVMGX-UHFFFAOYSA-N |
Boiling Point: | 257 °C at 760 mmHg |
Melting Point: | 257 °C |
Flash Point: | 163.2°C |
Purity: | > 95.0 % (T) |
Density: | 0.923 g/cm3 |
Solubility: | water, 89.48 mg/L @ 25 °C (est) |
Appearance: | Colorless liquid |
MDL: | MFCD00002728 |
LogP: | 2.84360 |
Refractive Index: | n20/D 1.454(lit.) |
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PMID | Publication Date | Title | Journal |
23286867 | 20121101 | Inhibitory effects of geranic acid derivatives on melanin biosynthesis | Journal of cosmetic science |
22461383 | 20120801 | Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor | Pest management science |
22401662 | 20120504 | A piperidine chiron for the Veratrum alkaloids | The Journal of organic chemistry |
21339945 | 20101227 | Secondary metabolites from a marine-derived endophytic fungus Penicillium chrysogenum QEN-24S | Marine drugs |
20872682 | 20101001 | Environmental concentrations of methoprene and its transformation products after the treatment of Altosid® XR Briquets in the city of Richmond, British Columbia, Canada | Environmental toxicology and chemistry |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.130679813 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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