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| IUPAC name : | hexadecan-1-ol |
| InChI : | InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3 |
| InChIKey : | BXWNKGSJHAJOGX-UHFFFAOYAS |
| SMILES : | CCCCCCCCCCCCCCCCO |
| cas number : | 36653-82-4 |
| (EINECS) number : | 253-149-0 |
| beilstein number : | 1748475 |
| fema number : | 2554 |
| coe number : | 57 |
| jecfa number : | 114 |
| fl. number : | 02.009 |
| molar refractivity : | 77.70 ± 0.3 cm3 |
| parachor : | 685.4 ± 4.0 cm3 |
| index of refraction : | 1.448 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 0.835 ± 0.06 g/cm3 |
| polarizability : | 30.80 ± 0.5 10-24cm3 |
| XlogP : | 6.20 |
| molecular weight : | 242.4405600 (IUPAC) |
| formula : | C16 H34 O |
| BioActivity Analysis : | 70568 |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.17.0000 |
| fda reg : | 172.515 172.864 175.105 175.300 176.200 177.1200 73.1 73.1001 |
Suppliers :
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| Penta : | alcohol C-16
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| Sigma-Aldrich-SAFC : | 1-Hexadecanol
≥99% Odor: waxy; floral |
| Vigon : | Cetyl Alcohol
Blend |
organoleptics :
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| odor type : | waxy |
| odor strength : | low |
odor description :¹ at 100.00 %. | waxy floral |
| substantivity : | 132 Hour(s) |
properties :
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| appearence : | white solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 50.00 to 55.00 °C. @ 760.00 mm Hg
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| boiling point : | 179.00 to 181.00 °C. @ 10.00 mm Hg
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| boiling point : | 344.00 °C. @ 760.00 mm Hg
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| congealing point : | 46.00 °C.
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| vapor pressure : | 0.00003 mm/Hg @ 30.00 °C. |
| vapor density : | 8.34 ( Air = 1 ) |
| flash point : | 275.00 °F. TCC ( 135.00 °C. )
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| logP (o/w) : | 6.73 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Human experience : | 12 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 5.00 gm/kg
Intraperitoneal-Mouse 1600.00 mg/kg
Oral-Mouse 3200.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >2600.00 mg/kg
Skin-Guineapig 10000.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for hexadecanol usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for hexadecanol usage levels up to : |
| | 2.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | NWG |
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| | hexadecan-1-ol
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| (EINECS) number : | 253-149-0 |
| RTECS : | MM0225000 for 36653-82-4 |
| chemidplus : | 036653824 |
| EPA Substance Registry Services : | 36653-82-4 |
| dtp/nci : | 4194 |
references :
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| | hexadecan-1-ol
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| fl. number : | 02.009 |
| jecfa number : | 114 |
| NIST Chemistry WebBook : | 1858316139 |
| pubchem : | 178866 |
Cosmetics :
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| Cosmetic uses : |
emollients
emulsifying agents
emulsion stabilisers
foam boosting agents
masking agents
opacifying agents
surfactants
viscosity controlling agents
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other :
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| reference : | Luebke, William tgsc, (1981)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| Household Products : | Search |