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| IUPAC name : | hexan-1-ol |
| InChI : | InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChIKey : | ZSIAUFGUXNUGDI-UHFFFAOYAO |
| SMILES : | CCCCCCO |
| cas number : | 111-27-3 |
| (EINECS) number : | 203-852-3 |
| eu annex : | 603-059-00-6 |
| beilstein number : | 0969167 |
| fema number : | 2567 |
| coe number : | 53 |
| jecfa number : | 91 |
| fl. number : | 02.005 |
| molar refractivity : | 31.38 ± 0.3 cm3 |
| parachor : | 287.5 ± 4.0 cm3 |
| index of refraction : | 1.415 ± 0.02 |
| surface tension : | 27.9 ± 3.0 dyne/cm |
| density : | 0.816 ± 0.06 g/cm3 |
| polarizability : | 12.44 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| molecular weight : | 102.1747600 (IUPAC) |
| formula : | C6 H14 O |
| BioActivity Analysis : | 48421998 |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.19.0020 |
| fda reg : | 172.515 172.864 |
Suppliers :
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| Advanced Biotech : | hexyl alcohol
98% min. natural Odor: Green, Woody |
| Berje : | Alcohol C-6
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| Cargill - Alfrebro : | n-HEXANOL
natural, Kosher |
| Elan : | hexyl alcohol
(natural), Kosher |
| Fleurchem : | alcohol C-6
natural |
| Fleurchem : | alcohol C-6
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| Frutarom : | HEXANOL
≥98.00%, NI, Kosher Odor: Aldehydic, Fresh, Fruity, Green |
| Inoue : | HEXANOL
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| John D. Walsh : | Hexyl Alcohol
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| Mane : | hexanol
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| Moellhausen : | alcohol C6
98% min. natural kosher Odor: fresh, oily, slightly fruity, caprylic, fermented note |
| Moellhausen : | alcohol C6
nature identical kosher |
| Mooreganics : | Hexanol (Hexyl Alcohol)
Natural (Organic Compliant) |
| Penta : | alcohol C-6
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| Penta : | hexyl alcohol
natural |
| Sigma-Aldrich-SAFC : | Hexyl alcohol
≥98%, FCC, Kosher Odor: green; herbaceous; woody; sweet |
| Sigma-Aldrich-SAFC : | Hexyl alcohol
≥98%, natural, FCC, Kosher, FG Odor: green; herbaceous; woody; sweet |
| Symrise : | Alcohol C 6
natural Flavor: green, sweet, leaf-, apple-like |
| Vigon : | Alcohol C-6 Hexyl Alcohol
FCC |
| Vigon : | Hexyl Alcohol
Natural |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | ethereal fusel oil fruity alcoholic sweet green |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.81600 to 0.82100 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.790 to 6.832
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| refractive index : | 1.41800 @ 20.00 °C.
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| melting point : | -52.00 to -51.00 °C. @ 760.00 mm Hg
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| boiling point : | 156.00 to 157.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| vapor pressure : | 0.92300 mm/Hg @ 25.00 °C. |
| vapor density : | 4.5 ( Air = 1 ) |
| flash point : | 140.00 °F. TCC ( 60.00 °C. )
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| logP (o/w) : | 2.03 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human experience : | 1 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 720.00 mg/kg
Oral-Mouse 1950.00 mg/kg
intravenous-Mouse 103.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 3100.00 ul/kg
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat >1060.00 ppm/6H
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safety in use :
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| recommendation for hexanol usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for hexanol usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2282 |
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| WGK Germany : | 1 |
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| | hexan-1-ol
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| (EINECS) number : | 203-852-3 |
| RTECS : | 111-27-3 |
| chemidplus : | 000111273 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 111-27-3 |
| dtp/nci : | 9254 |
references :
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| | hexan-1-ol
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| fl. number : | 02.005 |
| jecfa number : | 91 |
| NIST Chemistry WebBook : | 1797069342 |
| pubchem : | 151229 |
Cosmetics :
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| Cosmetic uses : |
antifoaming agents
hydrotropics
perfuming agents
solvents
surfactants
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |