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| IUPAC name : | (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol |
| InChI : | InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 |
| InChIKey : | FBPFZTCFMRRESA-JGWLITMVBN |
| SMILES : | C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O |
| cas number : | 50-70-4 |
| (EINECS) number : | 200-061-5 |
| beilstein number : | 1721899 |
| fema number : | 3029 |
| molar refractivity : | 38.89 ± 0.3 cm3 |
| parachor : | 360.7 ± 4.0 cm3 |
| index of refraction : | 1.597 ± 0.02 |
| surface tension : | 99.8 ± 3.0 dyne/cm |
| density : | 1.596 ± 0.06 g/cm3 |
| polarizability : | 15.41 ± 0.5 10-24cm3 |
| XlogP : | -3.90 |
| molecular weight : | 182.1717600 (IUPAC) |
| formula : | C6 H14 O6 |
| BioActivity Analysis : | 48416547 |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.44.0000 |
| fda reg : | 100.130 101.80 101.9 175.300 175.320 176.180 176.210 177.1390 177.2420 182.90 184.1835 |
Suppliers :
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| Fleurchem : | dextro-sorbitol
natural |
| Penta : | sorbitol
70% solution |
| Penta : | sorbitol
powder |
| SAFC Global® : | D-Sorbitol
≥98%, Kosher, FCC |
organoleptics :
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| odor type : | caramellic |
| odor strength : | low |
odor description: at 100.00 %. | odorless to sweet caramel |
taste description:
| sweet |
properties :
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| appearence : | white powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| melting point : | 98.00 to 100.00 °C. @ 760.00 mm Hg
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| boiling point : | 494.00 to 495.00 °C. @ 760.00 mm Hg
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | -2.20 |
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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| Oral Toxicity(LD50) : | | | |
Oral-Rat 15900.00 mg/kg FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 498, 1974.
intravenous-Rat 7100.00 mg/kg FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 498, 1974.
Oral-Mouse 17800.00 mg/kg Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.
intravenous-Mouse 9480.00 mg/kg Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.
Intraperitoneal-Mouse 15000.00 mg/kg Proceedings of the Society for Experimental Biology and Medicine. Vol. 35, Pg. 98, 1936.
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| Dermal Toxicity(LD50) : | | | |
Subcutaneous-Rat 29600.00 mg/kg Drugs in Japan Vol. -, Pg. 607, 1990.
Subcutaneous-Mouse 24000.00 mg/kg Drugs in Japan Vol. -, Pg. 607, 1990.
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| Inhalation Toxicity(LC50) : | | | |
Not determined
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safety in use :
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| Category : | anticaking agents |
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| recommendation for dextro-sorbitol fragrance usage levels up to : | | | not for fragrance use.
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| recommendation for dextro-sorbitol flavor usage levels up to : | | | not for flavor use.
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safety references :
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| EPI System : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
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| WGK Germany : | 2 |
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| | (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol |
| (EINECS) number : | 200-061-5 |
| RTECS : | 50-70-4 |
| chemidplus : | 000050704 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 50-70-4 |
references :
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| | (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol |
| NIST Chemistry WebBook : | 50704 |
| pubchem : | 148568 |
Cosmetics :
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| Cosmetic uses : |
humectants
plasticisers
skin conditioning
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Household Products : | Search |
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synonyms :
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| | cholaxine | | | diakarmon | | dextro- | glucitol | | dextro-1,2,3,4,5,6- | hexane hexol | | (2R,3R,4R,5S)- | hexane-1,2,3,4,5,6-hexol | | | karion | | | nevitin | | | sionon | | | sorbit | | dextro-(-)- | sorbitol | | | sorbo | | | sorbol |
soluble in :
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| | water, 2750000 mg/L @ 30C |
potential uses :
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| | chocolate cocoa | | | humectants | | | plasticisers | | | skin conditioning |
natural occurrence in : note
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| | found in nature
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