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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | oct-1-en-3-one |
| InChI : | InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3 |
| InChIKey : | KLTVSWGXIAYTHO-UHFFFAOYAV |
| SMILES : | CCCCCC(=O)C=C |
| (EINECS) number : | 224-327-5 |
| cas number : | 4312-99-6 |
| fema number : | 3515 |
| coe number : | 2312 |
| jecfa number : | 1148 |
| fl. number : | 07.081 |
| molar refractivity : | 38.86 ± 0.3 cm3 |
| parachor : | 344.4 ± 4.0 cm3 |
| index of refraction : | 1.422 ± 0.02 |
| surface tension : | 25.8 ± 3.0 dyne/cm |
| density : | 0.825 ± 0.06 g/cm3 |
| polarizability : | 15.40 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 126.1961600 |
| formula : | C8 H14 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | mushroom |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | herbal mushroom earthy musty dirty |
| taste description³ : | at 0.01 - 0.20 ppm. Intense creamy earthy mushroom with fishy and vegetative nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 49.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83600 - 0.84400 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.956 to 7.023
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| refractive index : | 1.43200 - 1.43900 @ 20.00 °C.
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| boiling point : | 59.00 - 60.00 °C. @ 16.00 mm Hg
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| boiling point : | 174.00 - 182.00 °C. @ 760.00 mm Hg
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| logp : | 2.17 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 125.00 °F. TCC ( 51.67 °C. )
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| recommendation for 1-octen-3-one usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for 1-octen-3-one usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 224-327-5 |
| chemidplus : | 004312996 |
| epa-srs : | 4312-99-6 |
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| other : | |
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| references : | |
| pubchem : | 197613 |
| NIST Chemistry WebBook : | 2446650068 |
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| reference : | Mosciano, Gerard P&F 26, No. 5, 68, (2001)³ |