Citral Chemical 3,7-dimethyl-trans-2,6-octadienal
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Density 0.9 ± 0.1 g/cm3
Boiling point 229.0 ± 9.0 ° C at 760 mmHg
Melting point<-10 º C
Molecular formula C10H16O
Molecular weight 152.233
Flash point 101.7 ± 0.0 ° C
Accurate quality 152.120117
PSA 17.07000
LogP 3.17
Appearance: Transparent to light yellow oily liquid
Steam density 5 (vs air)
Steam pressure 0.1 ± 0.5 mmHg at 25 ° C
Refractive index 1.457
Storage conditions
1. Sealed packaging in aluminum drums or glass bottles. Store in a cool and dry place.
2.10kg or 25kg plastic bucket packaging. Store in a cool and ventilated warehouse, away from heat sources and sparks.
Stability
1. Stable at room temperature and pressure, colorless or slightly yellow liquid with a rich lemon aroma. No optical rotation. Boiling point 228 ℃, flash point 92 ℃. There are two isomers, cis and trans. When treated with Sodium bisulfite, the cis solubility is very small, while the trans solubility is very large, so the two can be separated. Cis Citral: relative density (d200.8898, refractive index (nD20) 1.4891, boiling point 118~119 ℃ (2666Pa). Trans Citral: relative density 0.8888, refractive index (nD20) 1.4891, boiling point 117 ~ 118 ℃ (2666Pa). Soluble in non volatile oils, volatile oils, propylene glycol, and ethanol, insoluble in glycerol and water. Unstable in alkaline and strong acids.
Natural products are found in Cymbopogon citratus oil (70%~80%), litsea cubeba oil (about 70%), lemon oil, white lemon oil, citrus leaf oil, etc.
2. Toxicity: The oral LD50 of rats is 4960mg/kg.
Water solubility PRACTICALLY INSOLUBLE
Molecular structure
1. Molar refractive index: 48.36
2. Molar volume (cm3/mol): 177.7
3. Isometric volume (90.2K): 405.6
4. Surface tension (dyne/cm): 27.1
5. Polarization rate (10-24cm3): 19.17
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): 2.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 1
4. Number of rotatable Chemical bond: 4
5. Number of Tautomer:
6. Topological molecule Polar surface area (TPSA): 17.1
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 171
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic construction centers: 0
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond stereocenters: 1
15. Number of Covalent bond units: 1
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