Articles:
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(2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
Notes:
Used as a food additive [EAFUS]
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 04-21402 1,3-DIHYDROXYACETONE DIMER
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| CAS Number: | 62147-49-3 |  3D/inchi
|
| Nikkaji Web: | J1.220.341A | |
| Beilstein Number: | 0112910 | |
| MDL: | MFCD00051019 | |
| XlogP3-AA: | -3.10 (est) | |
| Molecular Weight: | 180.15684000 | |
| Formula: | C6 H12 O6 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1716 1,3-dihydroxyacetone dimer |
| FEMA Number: | 4033 1,3-dihydroxyacetone dimer |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 62147-49-3 ; DIHYDROXYACETONE (DIMER) |
Physical Properties:
| Appearance: | white to tan powder (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 75.00 to 80.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 448.00 to 449.00 °C. @ 760.00 mm Hg |
| Flash Point: | 436.00 °F. TCC ( 224.44 °C. ) |
| logP (o/w): | -0.951 (est) |
| Soluble in: | |
| alcohol | |
| water | |
| water, 9.582e+005 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: cooling | |
| sweet cooling | |
| Odor Description: at 100.00 %. | sweet cooling |
| Flavor Type: cooling | |
| cooling | |
| Taste Description: | cooling |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 1,4-Dioxane-2,5-dimethanol,2,5-dihydroxy-, (2R,5S)-rel- |
| BOC Sciences |
| For experimental / research use only. |
| 2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol >96.0%(T) |
| Penta International |
| 1,3-DIHYDROXYACETONE DIMER |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1,3-Dihydroxyacetone (dimer) |
| TCI AMERICA |
| For experimental / research use only. |
| 1,3-Dihydroxyacetone (dimer) >96.0%(T) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 60000 mg/kg Laborit (1977) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 1,3-dihydroxyacetone (dimer) usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 21 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 50.00000 | 200.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 120.00000 | 600.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | 300.00000 | 1200.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 80.00000 | 320.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 40.00000 | 240.00000 | |
| granulated sugar: | - | - | |
| gravies: | 80.00000 | 240.00000 | |
| hard candy: | 300.00000 | 1200.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 20.00000 | 200.00000 | |
| milk products: | 40.00000 | 200.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | 80.00000 | 240.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 400.00000 | 2400.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 2723627 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol | |
| Chemidplus: | 0062147493 |
References:
| (2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 2723627 |
| Pubchem (sid): | 135348750 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| Metabolomics Database: | Search |
| HMDB (The Human Metabolome Database): | HMDB32222 |
| FooDB: | FDB009293 |
| Export Tariff Code: | 2932.99.9090 |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| chromelin (dimer) | |
| 2,5- | dihydroxy-1,4-dioxane-2,5-dimethanol |
| 2,5- | dihydroxy-2,5-di(hydroxymethyl)-1,4-dioxane (dimer) |
| 1,3- | dihydroxyacetone dimer |
| 2,5- | dihydroxydioxane-2,5-dimethanol |
| 1,4- | dioxane-2,5-dimethanol, 2,5-dihydroxy- |
| (2S,5R)-2,5-bis( | hydroxymethyl)-1,4-dioxane-2,5-diol |
| 2,5-bis( | hydroxymethyl)-1,4-dioxane-2,5-diol |