| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||||
| IUPAC name : | sodium 4-methyl-2-oxopentanoate | |||||||||||||||||
| InChI : | InChI=1/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1 | |||||||||||||||||
| InChIKey : | IXFAZKRLPPMQEO-REWHXWOFAA | |||||||||||||||||
| SMILES : | CC(C)CC(=O)C(=O)[O-].[Na+] | |||||||||||||||||
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| export tariff code : | 2918.30.5000 | |||||||||||||||||
| fda reg : | unspecified | |||||||||||||||||
Suppliers : | ||||||||||||||||||
| Sigma-Aldrich-SAFC : | 4-Methyl-2-oxopentanoic acid sodium salt
98% | |||||||||||||||||
organoleptics : | ||||||||||||||||||
| odor strength : | medium | |||||||||||||||||
| odor description :¹ at 100.00 %. | butyric valeric buttery | |||||||||||||||||
| odor sample from : | Sigma-Aldrich Inc. | |||||||||||||||||
properties : | ||||||||||||||||||
| appearence : | white solid | |||||||||||||||||
| assay : | 98.00 to 100.00 % | |||||||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||||||
| melting point : | 275.00 °C. @ 760.00 mm Hg | |||||||||||||||||
| boiling point : | 190.00 to 191.00 °C. @ 760.00 mm Hg | |||||||||||||||||
| vapor pressure : | 0.23900 mm/Hg @ 25.00 °C. | |||||||||||||||||
| flash point : | 182.00 °F. TCC ( 83.33 °C. ) | |||||||||||||||||
| logP (o/w) : | 0.17 | |||||||||||||||||
| shelf life : | 24.00 month(s) or longer if stored properly. | |||||||||||||||||
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. | |||||||||||||||||
safety : | ||||||||||||||||||
| most important hazard(s) : | None - None found. | |||||||||||||||||
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S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes. | ||||||||||||||||||
| Oral Toxicity(LD50) : | ||||||||||||||||||
| Not determined | ||||||||||||||||||
| Dermal Toxicity(LD50) : | ||||||||||||||||||
| Not determined | ||||||||||||||||||
| Inhalation Toxicity(LC50) : | ||||||||||||||||||
| Not determined | ||||||||||||||||||
safety in use : | ||||||||||||||||||
| recommendation for sodium 4-methyl-2-oxovalerate usage levels up to : | ||||||||||||||||||
| not for fragrance use. | ||||||||||||||||||
safety references : | ||||||||||||||||||
| EPI System : | view | |||||||||||||||||
| NLM Developmental and Reproductive Toxicity : | Search | |||||||||||||||||
| WGK Germany : | 3 | |||||||||||||||||
| sodium 4-methyl-2-oxopentanoate | ||||||||||||||||||
| (EINECS) number : | 224-816-3 | |||||||||||||||||
| chemidplus : | 004502005 | |||||||||||||||||
| EPA Substance Registry Services : | 4502-00-5 | |||||||||||||||||
references : | ||||||||||||||||||
| sodium 4-methyl-2-oxopentanoate | ||||||||||||||||||
| jecfa number : | 633.1 | |||||||||||||||||
| pubchem : | 655301 | |||||||||||||||||
other : | ||||||||||||||||||
| reference : | Luebke, William tgsc, (2007)¹ | |||||||||||||||||
| synonyms : | |
| 4- | methyl-2-oxopentanoic acid sodium salt |
| sodium 4-methyl-2-ketopentanoate | |
| sodium 4-methyl-2-oxopentanoate | |
| sodium alpha-ketoisocaproate | |
soluble in : | |
| water | |
(odor and/or flavor) blends with : | |
| acetoin acetate | |
| acetyl isobutyryl | |
| acetyl propionyl | |
| butyl octanoate | |
| butyroin | |
| cinnamyl benzoate | |
| coffee furanone | |
| gamma- | decalactone |
| 6- | decenoic acid |
| diacetyl | |
| diacetyl trimer | |
| alpha,alpha- | dimethyl anisyl acetone |
| delta- | dodecalactone |
| ethyl lactate | |
| 2- | ethyl pyrazine |
| ethyl undecanoate | |
| 2,3- | heptane dione |
| 3,4- | hexane dione |
| (Z)-3- | hexen-1-yl butyrate |
| jasmin pyranone | |
| linalyl butyrate | |
| 3- | methyl butyl 2-furyl butyrate |
| 3-( | methyl thio) hexanal |
| gamma- | nonalactone |
| (E)-2- | pentenoic acid |
| prenyl isobutyrate | |
| 3- | tetrahydrothiophenone |
| (E,E)-2,4- | undecadien-1-al |
(odor and/or flavor) used in : | |
| butter | |
natural occurrence in : | |
| not found in nature | |