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| IUPAC name : | oct-1-en-3-ol |
| InChI : | InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3 |
| InChIKey : | VSMOENVRRABVKN-UHFFFAOYAB |
| SMILES : | CCCCCC(C=C)O |
| (EINECS) number : | 222-226-0 |
| cas number : | 3391-86-4 |
| beilstein number : | 1744110 |
| fema number : | 2805 |
| coe number : | 72 |
| jecfa number : | 1152 |
| fl. number : | 02.023 |
| molar refractivity : | 40.33 ± 0.3 cm3 |
| parachor : | 353.5 ± 4.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.834 ± 0.06 g/cm3 |
| polarizability : | 15.98 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 128.2120400 |
| formula : | C8 H16 O |
| BioActivity Analysis : | 124234 |
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| IUPAC name : | (3R)-oct-1-en-3-ol |
| InChI : | InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m0/s1 |
| InChIKey : | VSMOENVRRABVKN-QMMMGPOBBS |
| SMILES : | CCCCC[C@H](C=C)O |
| cas number : | 3391-86-4 |
| molar refractivity : | 40.33 ± 0.3 cm3 |
| parachor : | 353.5 ± 4.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.834 ± 0.06 g/cm3 |
| polarizability : | 15.98 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 128.2120400 |
| formula : | C8 H16 O |
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| IUPAC name : | (3S)-oct-1-en-3-ol |
| InChI : | InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1 |
| InChIKey : | VSMOENVRRABVKN-UHFFFAOYAB |
| SMILES : | CCCCC[C@@H](C=C)O |
| cas number : | 24587-53-9 |
| molar refractivity : | 40.33 ± 0.3 cm3 |
| parachor : | 353.5 ± 4.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.834 ± 0.06 g/cm3 |
| polarizability : | 15.98 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 128.2120400 |
| formula : | C8 H16 O |
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| fda reg : | unspecified |
h. number : | 2905.20 |
| organoleptics : | |
| odor type : | earthy |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | earthy green oily vegetable fungal |
| taste description³ : | at 10.00 ppm.
Mushroom, earthy, fungal, green, oily, vegetative, uami sensation and savory brothy |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.83000 - 0.83800 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.906 to 6.973
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| specific gravity : | 0.83100 - 0.83900 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.923 to 6.989
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| refractive index : | 1.43400 - 1.44000 @ 20.00 °C.
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| boiling point : | 84.00 - 85.00 °C. @ 25.00 mm Hg
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| boiling point : | 174.00 - 175.00 °C. @ 760.00 mm Hg
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| logp : | 2.64 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 340.00 mg/kg FCTXAV 14,681,1976
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 3300.00 mg/kg FCTXAV 14,681,1976
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| flash point ( Deg. F. ) : | 142.00 °F. TCC ( 61.11 °C. )
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| recommendation for 1-octen-3-ol usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for 1-octen-3-ol usage levels up to : |
| | 6.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 222-226-0 |
| rtecs : | RH3300000 for 3391-86-4 |
| chemidplus : | 003391864 |
| epa-srs : | 3391-86-4 |
| dtp/nci : | 87563 |
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| chemidplus : | 3391-86-4 |
| epa-srs : | 3391-86-4 |
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| chemidplus : | 24587-53-9 |
| epa-srs : | 24587-53-9 |
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| other : | |
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| references : | |
| jecfa number : | 1152 |
| fl. number : | 02.023 |
| pubchem : | 161810 |
| NIST Chemistry WebBook : | 4132229115 |
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| pubchem : | 26744289 |
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| pubchem : | 26744388 |
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| reference : | Mosciano, Gerard P&F 18, No. 6, 33, (1993)³ |