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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-(hydroxymethyl)nonan-2-one |
| InChI : | InChI=1/C10H20O2/c1-3-4-5-6-7-10(8-11)9(2)12/h10-11H,3-8H2,1-2H3 |
| InChIKey : | DIZUHEORFPDTIQ-UHFFFAOYAZ |
| SMILES : | CCCCCCC(CO)C(=O)C |
| (EINECS) number : | 267-154-0 |
| cas number : | 67801-33-6 |
| molar refractivity : | 49.90 ± 0.3 cm3 |
| parachor : | 449.1 ± 4.0 cm3 |
| index of refraction : | 1.441 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.913 ± 0.06 g/cm3 |
| polarizability : | 19.78 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description : at 100.00 %. | fresh sweet green weedy earthy herbal |
| substantivity : | 20 Hour(s) |
| properties : | |
| appearence : | pale yellow clear liquid |
| assay : | 60.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89000 - 0.91000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.406 to 7.572
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| specific gravity : | 0.89100 - 0.91100 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.423 to 7.589
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| refractive index : | 1.43900 - 1.44400 @ 20.00 °C.
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| melting point : | -5.80 °C. @ 0.00 mm Hg
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| boiling point : | 378.00 °C. @ 0.00 mm Hg
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| logp : | 2.22 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 201.00 °F. TCC ( 93.89 °C. )
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| recommendation for herbal ketone usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for herbal ketone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 267-154-0 |
| chemidplus : | 067801336 |
| epa-srs : | 67801-33-6 |
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| other : | |
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| references : | |
| pubchem : | 684045 |
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