| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 4-sulfanylpentan-2-one |
| InChI : | InChI=1/C5H10OS/c1-4(6)3-5(2)7/h5,7H,3H2,1-2H3 |
| InChIKey : | KHIPEWLRUGVKIC-UHFFFAOYAS |
| SMILES : | CC(CC(=O)C)S |
| cas number : | 92585-08-5 |
| % from : | 99.00% |
| fema number : | 4157 |
| jecfa number : | 1670 |
| fl. number : | 12.264 |
| molar refractivity : | 33.09 ± 0.3 cm3 |
| parachor : | 285.3 ± 4.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 29.3 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 13.12 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
|
|
| |
| |
| IUPAC name : | 3-hydroxybutan-2-one |
| InChI : | InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3 |
| InChIKey : | ROWKJAVDOGWPAT-UHFFFAOYAD |
| SMILES : | CC(C(=O)C)O |
| (EINECS) number : | 208-174-1 |
| cas number : | 513-86-0 |
| % from : | 1.00% |
| beilstein number : | 0385636 |
| fema number : | 2008 |
| coe number : | 749 |
| jecfa number : | 405 |
| fl. number : | 07.051 |
| molar refractivity : | 22.10 ± 0.3 cm3 |
| parachor : | 210.4 ± 4.0 cm3 |
| index of refraction : | 1.408 ± 0.02 |
| surface tension : | 30.4 ± 3.0 dyne/cm |
| density : | 0.983 ± 0.06 g/cm3 |
| polarizability : | 8.76 ± 0.5 10-24cm3 |
| xlogp : | -0.30 |
| molecular weight : | 88.1051200 |
| formula : | C4 H8 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.01 % solution or less |
odor description :
at 0.01 % in propylene glycol. | pungent meaty |
| properties : | |
| appearence : | colorless to yellow clear liquid |
| assay : | 95.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| boiling point : | 258.00 - 260.00 °C. @ 760.00 mm Hg
|
| logp : | 0.88 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 137.00 °F. TCC ( 58.33 °C. )
|
| | |
| recommendation for 4-mercapto-2-pentanone 1% in acetoin 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). |
| publication number : 22. |
| 4157 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 30.00000 |
| beverages(nonalcoholic) : | 1.00000 | 5.00000 |
| beverages(alcoholic) : | 5.00000 | 10.00000 |
| breakfast cereal : | - | - |
| cheese : | 1.00000 | 10.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 2.00000 | 10.00000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 5.00000 | 20.00000 |
| fish products : | - | - |
| frozen dairy : | 5.00000 | 10.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 2.00000 | 10.00000 |
| hard candy : | 5.00000 | 20.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 3.00000 | 20.00000 |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | 2.00000 | 10.00000 |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 30.00000 |
| snack foods : | 5.00000 | 30.00000 |
| soft candy : | - | - |
| soups : | 1.00000 | 10.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| chemidplus : | 92585-08-5 |
| epa-srs : | 92585-08-5 |
| | |
| (EINECS) number : | 208-174-1 |
| rtecs : | EL8790000 for 513-86-0 |
| chemidplus : | 000513860 |
| epa-srs : | 513-86-0 |
| dtp/nci : | 7609 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 1670 |
| fl. number : | 12.264 |
| pubchem : | 10544150 |
| NIST Chemistry WebBook : | 1810004792 |
| | |
| jecfa number : | 405 |
| fl. number : | 07.051 |
| pubchem : | 153853 |
| NIST Chemistry WebBook : | 3772668058 |
| | |
|
| synonyms : |
| 4- | mercapto-2-pentanone 1% in acetoin | | 4- | mercaptopentan-2-one 1% in acetoin | | 4,2- | thiopentanone 1% in acetoin |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| 4- | acetyl-2-methyl pyrimidine |
| 4- | allyl-2,6-dimethoxyphenol |
| 4- | aminobutyric acid |
| | amyl mercaptan |
| | bacon dithiazine |
| 1,3- | butane dithiol |
| 2,3- | butane dithiol |
| 2-(2- | butyl)-4,5-dimethyl-3-thiazoline |
| | butyraldehyde |
| | coffee difuran |
| | cyclopropyl (E,Z)-2,6-nonadienamide |
| 2,5- | diethyl thiazole |
| 3,5- | diethyl-2-methyl pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| | difurfuryl sulfide |
| 2,5- | dihydroxy-1,4-dithiane |
| N-(2,4- | dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide |
| N-(2-(3,4- | dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide |
| 2,5- | dimethyl furan |
| | dimethyl tetrasulfide |
| 2,6- | dimethyl thiophenol |
| | dimethyl trisulfide |
| 4,5- | dimethyl-2-ethyl-3-thiazoline |
| 3,7- | dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide |
| 2,6- | dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone |
| 2,5- | dimethyl-3-furan thiol |
| bis(2,5- | dimethyl-3-furyl) disulfide |
| 2,5- | dimethyl-3-thiofuroyl furan |
| 1,1- | ethane dithiol 1% in ethanol |
| | ethyl (E,Z)-2,6-nonadienamide |
| S- | ethyl 2-acetyl aminoethane thioate |
| | ethyl 3-mercaptopropionate |
| | ethyl 4-(acetyl thio) butyrate |
| S- | ethyl thioacetate |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| | fish thiol |
| | furfuryl isopropyl sulfide |
| 4- | furfuryl thio-2-pentanone |
| | hazelnut pyrazine |
| N-( | heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide |
| 1,6- | hexane dithiol |
| | hexyl mercaptan |
| | meaty dithiane |
| 2- | mercapto-3-pentanone |
| 2- | mercaptomethyl pyrazine |
| 2- | mercaptopropionic acid |
| N1-(2- | methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide |
| N1-(2- | methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide |
| | methyl 2-methyl-3-furyl disulfide |
| 2- | methyl 3-(methyl thio) furan 10% in triacetin |
| 4- | methyl 4-mercaptopentan-2-one 1% in pg |
| | methyl dihydrofuran thiol |
| 4- | methyl nonanoic acid |
| 2- | methyl pyrazine |
| 2- | methyl thiazolidine |
| 2-( | methyl thio) ethanol |
| 12- | methyl tridecanal |
| 2- | methyl-1-methyl thio-2-butene |
| 3- | methyl-2-butane thiol |
| 2- | methyl-3-(methyl thio) pyrazine |
| 2- | methyl-3-furyl tetrasulfide |
| bis(2- | methyl-3-furyl) disulfide |
| S-(2- | methyl-3-furyl) ethane thioate |
| 3-((2- | methyl-3-furyl)thio)-4-heptanone |
| 4-((2- | methyl-3-furyl)thio)-5-nonanone |
| 2- | methyl-3-tetrahydrofuran thiol |
| 2- | naphthyl mercaptan |
| 1,9- | nonane dithiol |
| | nutty thiazole |
| 1,8- | octane dithiol |
| | peanut dithiazine |
| 1- | phenethyl mercaptan |
| 1,3- | propane dithiol |
| 2- | propionyl-2-thiazoline |
| | propyl 2-mercaptopropionate |
| | propyl 2-methyl-3-furyl disulfide |
| iso | propyl disulfide |
| iso | propyl mercaptan |
| | pyrazinyl ethane thiol |
| 2- | pyridinyl methane thiol |
| | pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine |
| | roasted butanol |
| | rum ether |
| | sulfuryl acetate |
| 3- | tetrahydrothiophenone |
| | thialdine |
| | thiazole |
| 3- | thienyl mercaptan |
| 1-(2- | thienyl) butanone |
| ortho- | thiocresol |
| | thioguaiacol |
| | tyramine |
| (odor and/or flavor) used in : |
| | bacon | | | beef | | | beef roasted beef | | | chicken | | | ham | | | lamb | | | liver | | | meat | | | meat grilled meat | | | meat roasted meat | | | meat smoked meat | | | pork | | | salami | | | turkey |
| natural occurrence in : |
| not found in nature |
|