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| IUPAC name : | 3,7-dimethyloct-6-enal |
| InChI : | InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3 |
| InChIKey : | NEHNMFOYXAPHSD-UHFFFAOYAH |
| SMILES : | CC(CCC=C(C)C)CC=O |
| (EINECS) number : | 203-376-6 |
| cas number : | 106-23-0 |
| fema number : | 2307 |
| coe number : | 110 |
| jecfa number : | 1220 |
| fl. number : | 05.021 |
| molar refractivity : | 48.42 ± 0.3 cm3 |
| parachor : | 419.6 ± 4.0 cm3 |
| index of refraction : | 1.437 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.835 ± 0.06 g/cm3 |
| polarizability : | 19.19 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 154.2493200 |
| formula : | C10 H18 O |
| BioActivity Analysis : | 99554 |
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| fda reg : | 172.515 |
h. number : | 2912.19.000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet floral rose waxy citrus green |
| taste description³ : | at 10.00 ppm. Floral, green, rosy and citrus lemon |
| substantivity : | 16 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 85.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.85000 - 0.85800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.073 to 7.139
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| specific gravity : | 0.85100 - 0.85900 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.089 to 7.156
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| refractive index : | 1.44600 - 1.45300 @ 20.00 °C.
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| optical rotation : | -1.00 to -11.00
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| boiling point : | 206.00 - 207.00 °C. @ 760.00 mm Hg
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| boiling point : | 106.00 - 108.00 °C. @ 15.00 mm Hg
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| acid value : | 3.00 max. KOH/g
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| logp : | 3.48 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 2420.00 mg/kg NTIS** OTS0557726
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >2500.00 mg/kg FCTXAV 13,755,197
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| flash point ( Deg. F. ) : | 169.00 °F. TCC ( 76.11 °C. )
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| recommendation for citronellal usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for citronellal usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-376-6 |
| rtecs : | RH2140000 for 106-23-0 |
| chemidplus : | 000106230 |
| epa-srs : | 106-23-0 |
| dtp/nci : | 46106 |
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| other : | |
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| references : | |
| pubchem : | 150886 |
| NIST Chemistry WebBook : | 1733576178 |
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| reference : | Mosciano, Gerard P&F 14, No. 6, 47, (1989)³ |