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| IUPAC name : | octan-3-ol |
| InChI : | InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 |
| InChIKey : | NMRPBPVERJPACX-UHFFFAOYAX |
| SMILES : | CCCCCC(CC)O |
| (EINECS) number : | 209-667-4 |
| cas number : | 589-98-0 |
| beilstein number : | 1719310 |
| fema number : | 3581 |
| coe number : | 11715 |
| jecfa number : | 291 |
| fl. number : | 02.098 |
| molar refractivity : | 40.60 ± 0.3 cm3 |
| parachor : | 364.5 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.821 ± 0.06 g/cm3 |
| polarizability : | 16.09 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 130.2279200 |
| formula : | C8 H18 O |
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| IUPAC name : | (3R)-octan-3-ol |
| InChI : | InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1 |
| InChIKey : | NMRPBPVERJPACX-MRVPVSSYBQ |
| SMILES : | CCCCC[C@@H](CC)O |
| cas number : | 70492-66-9 |
| molar refractivity : | 40.60 ± 0.3 cm3 |
| parachor : | 364.5 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.821 ± 0.06 g/cm3 |
| polarizability : | 16.09 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 130.2279200 |
| formula : | C8 H18 O |
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| IUPAC name : | (3S)-octan-3-ol |
| InChI : | InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey : | NMRPBPVERJPACX-QMMMGPOBBO |
| SMILES : | CCCCC[C@H](CC)O |
| cas number : | 22658-92-0 |
| molar refractivity : | 40.60 ± 0.3 cm3 |
| parachor : | 364.5 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.821 ± 0.06 g/cm3 |
| polarizability : | 16.09 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 130.2279200 |
| formula : | C8 H18 O |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | earthy |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | earthy mushroom herbal melon citrus woody spicy minty |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.81600 - 0.82100 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.790 to 6.832
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| refractive index : | 1.42500 - 1.42900 @ 20.00 °C.
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| boiling point : | 174.00 - 176.00 °C. @ 760.00 mm Hg
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| logp : | 2.73 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 4.70 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 150.00 °F. TCC ( 65.56 °C. )
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| recommendation for 3-octanol usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for 3-octanol usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 209-667-4 |
| rtecs : | RH0855000 for 589-98-0 |
| chemidplus : | 000589980 |
| epa-srs : | 589-98-0 |
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| chemidplus : | 70492-66-9 |
| epa-srs : | 70492-66-9 |
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| chemidplus : | 22658-92-0 |
| epa-srs : | 22658-92-0 |
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| other : | |
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| references : | |
| jecfa number : | 291 |
| fl. number : | 02.098 |
| pubchem : | 154831 |
| NIST Chemistry WebBook : | 3308700562 |
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| pubchem : | 36888393 |
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| pubchem : | 43600672 |
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