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| IUPAC name : | hexan-3-ol |
| InChI : | InChI=1/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3 |
| InChIKey : | ZOCHHNOQQHDWHG-UHFFFAOYAA |
| SMILES : | CCCC(CC)O |
| (EINECS) number : | 210-790-0 |
| cas number : | 623-37-0 |
| beilstein number : | 1718964 |
| fema number : | 3351 |
| coe number : | 11775 |
| jecfa number : | 282 |
| fl. number : | 02.089 |
| molar refractivity : | 31.33 ± 0.3 cm3 |
| parachor : | 284.9 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.814 ± 0.06 g/cm3 |
| polarizability : | 12.42 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 102.1747600 |
| formula : | C6 H14 O |
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| IUPAC name : | (3R)-hexan-3-ol |
| InChI : | InChI=1/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m1/s1 |
| InChIKey : | ZOCHHNOQQHDWHG-ZCFIWIBFBZ |
| SMILES : | CCC[C@@H](CC)O |
| cas number : | 623-37-0 |
| molar refractivity : | 31.33 ± 0.3 cm3 |
| parachor : | 284.9 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.814 ± 0.06 g/cm3 |
| polarizability : | 12.42 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 102.1747600 |
| formula : | C6 H14 O |
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| IUPAC name : | (3S)-hexan-3-ol |
| InChI : | InChI=1/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1 |
| InChIKey : | ZOCHHNOQQHDWHG-LURJTMIEBX |
| SMILES : | CCC[C@H](CC)O |
| cas number : | 623-37-0 |
| molar refractivity : | 31.33 ± 0.3 cm3 |
| parachor : | 284.9 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.814 ± 0.06 g/cm3 |
| polarizability : | 12.42 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 102.1747600 |
| formula : | C6 H14 O |
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| fda reg : | unspecified |
h. number : | 2905.10 |
| organoleptics : | |
| odor type : | alcoholic |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | alcoholic medicinal ether |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81800 - 0.82200 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.815 to 6.848
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| refractive index : | 1.41400 - 1.41800 @ 20.00 °C.
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| boiling point : | 133.00 - 135.00 °C. @ 760.00 mm Hg
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| logp : | 1.65 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 11.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 107.00 °F. TCC ( 41.67 °C. )
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| recommendation for 3-hexanol usage levels up to : |
| | 0.6000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 210-790-0 |
| chemidplus : | 000623370 |
| epa-srs : | 623-37-0 |
| dtp/nci : | 60708 |
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| chemidplus : | 623-37-0 |
| epa-srs : | 623-37-0 |
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| chemidplus : | 623-37-0 |
| epa-srs : | 623-37-0 |
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| other : | |
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| references : | |
| pubchem : | 155497 |
| NIST Chemistry WebBook : | 2833953051 |
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| pubchem : | 43596558 |
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| pubchem : | 43760356 |
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