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| IUPAC name : | 3,5,5-trimethylhexanal |
| InChI : | InChI=1/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3 |
| InChIKey : | WTPYRCJDOZVZON-UHFFFAOYAY |
| SMILES : | CC(CC=O)CC(C)(C)C |
| (EINECS) number : | 226-603-0 |
| cas number : | 5435-64-3 |
| beilstein number : | 1740882 |
| fema number : | 3524 |
| coe number : | 10384 |
| jecfa number : | 269 |
| fl. number : | 05.116 |
| molar refractivity : | 43.85 ± 0.3 cm3 |
| parachor : | 391.5 ± 4.0 cm3 |
| index of refraction : | 1.415 ± 0.02 |
| surface tension : | 25.1 ± 3.0 dyne/cm |
| density : | 0.813 ± 0.06 g/cm3 |
| polarizability : | 17.38 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 142.2386200 |
| formula : | C9 H18 O |
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| fda reg : | unspecified |
h. number : | 2912.19.0000 |
| organoleptics : | |
| odor type : | aldehydic |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | aldehydic dry grassy weedy green citrus fatty |
| substantivity : | 5 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81700 - 0.82500 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.798 to 6.865
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| specific gravity : | 0.81800 - 0.82600 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.815 to 6.881
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| refractive index : | 1.41900 - 1.42400 @ 20.00 °C.
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| boiling point : | 67.00 - 68.00 °C. @ 2.50 mm Hg
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| boiling point : | 142.00 °C. @ 150.00 mm Hg
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| acid value : | 10.00 max. KOH/g
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| logp : | 3.01 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 3240.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >25000.00 mg/kg
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| flash point ( Deg. F. ) : | 116.00 °F. TCC ( 46.67 °C. )
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| recommendation for green hexanal usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for green hexanal usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 226-603-0 |
| rtecs : | MN7820000 for 5435-64-3 |
| chemidplus : | 005435643 |
| epa-srs : | 5435-64-3 |
| dtp/nci : | 21482 |
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| other : | |
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| references : | |
| pubchem : | 164312 |
| NIST Chemistry WebBook : | 2435100995 |
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