| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:25 UTC |
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| Update date | 2017-01-19 02:36:41 UTC |
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| FoodComEx ID | PC000919 |
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| FoodDB Record | FDB030826 |
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| Chemical Information |
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| Name | dihydroxyacetone |
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| Description | Dihydroxyacetone, also known as 1,3-dihydroxy-2-propanone or glycerone, is a member of the class of compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Dihydroxyacetone is soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydroxyacetone can be found in a number of food items such as cauliflower, green bell pepper, black cabbage, and sweet basil, which makes dihydroxyacetone a potential biomarker for the consumption of these food products. Dihydroxyacetone can be found primarily in urine, as well as in human muscle and stratum corneum tissues. Dihydroxyacetone exists in all living species, ranging from bacteria to humans. Dihydroxyacetone is primarily used as an ingredient in sunless tanning products. It is often derived from plant sources such as sugar beets and sugar cane, and by the fermentation of glycerin . |
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| CAS Number | 96-26-4 |
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| Structure | |
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| Synonyms | |
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| Chemical Formula | C3H6O3 |
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| IUPAC name | 1,3-dihydroxypropan-2-one |
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| InChI Identifier | InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 |
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| InChI Key | RXKJFZQQPQGTFL-UHFFFAOYSA-N |
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| Isomeric SMILES | OCC(=O)CO |
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| Average Molecular Weight | 90.0779 |
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| Monoisotopic Molecular Weight | 90.031694058 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Monosaccharides |
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| Alternative Parents | |
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| Substituents | - Glycerone or derivatives
- Monosaccharide
- Alpha-hydroxy ketone
- Ketone
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | J40094 |
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| AKSci | J90461 |
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| AKSci | V2093 |
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