| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 4-(2-methylfuran-3-yl)sulfanylnonan-5-one |
| InChI : | InChI=1/C14H22O2S/c1-4-6-8-12(15)14(7-5-2)17-13-9-10-16-11(13)3/h9-10,14H,4-8H2,1-3H3 |
| InChIKey : | PEYZZTQOVLTVHN-UHFFFAOYAB |
| SMILES : | CCCCC(=O)C(CCC)SC1=C(OC=C1)C |
| (EINECS) number : | 262-691-7 |
| cas number : | 61295-50-9 |
| fema number : | 3571 |
| coe number : | 11923 |
| jecfa number : | 1087 |
| fl. number : | 13.078 |
| molar refractivity : | 73.63 ± 0.4 cm3 |
| parachor : | 613.2 ± 6.0 cm3 |
| index of refraction : | 1.506 ± 0.03 |
| surface tension : | 37.5 ± 5.0 dyne/cm |
| density : | 1.02 ± 0.1 g/cm3 |
| polarizability : | 29.19 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 254.3882800 |
| formula : | C14 H22 O2 S |
|
|
| |
| |
| export tariff code : | unspecified |
| fda reg : | unspecified |
| |
| |
organoleptics :
|
| odor type : | meaty |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | meaty |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00000 - 1.01200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.321 to 8.421
|
| refractive index : | 1.48900 - 1.49600 @ 20.00 °C.
|
| boiling point : | 102.00 - 103.00 °C. @ 0.25 mm Hg
|
| logp : | 4.66 |
safety :
|
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 304.00 °F. TCC ( 151.11 °C. )
|
| | |
| recommendation for 4-((2-methyl-3-furyl)thio)-5-nonanone usage levels up to : | | | not for fragrance use.
|
| | |
safety links :
|
| (EINECS) number : | 262-691-7 |
| chemidplus : | 061295509 |
| epa-srs : | 61295-50-9 |
| | |
other :
|
| |
|
references :
|
| jecfa number : | 1087 |
| fl. number : | 13.078 |
| pubchem : | 198718 |
| | |
|
| synonyms : |
| 1,3- | dipropyl acetonyl 2-methyl-3-furyl sulfide | | 1,3- | dipropylacetonyl 2-methyl-3-furyl sulfide | | 4-((2- | methyl-3-furyl)sulfanyl) nonan-5-one | | 4-((2- | methyl-3-furyl)thio) nonan-5-one | | 4-((2- | methyl-3-furyl)thio)-5-nonanone |
| 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 |
| | 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 |
| 4- | mercapto-2-pentanone 1% in acetoin |
| 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 |
| 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 |
| 3- | thienyl mercaptan |
| 1-(2- | thienyl) butanone |
| ortho- | thiocresol |
| | thioguaiacol |
| | tyramine |
| (odor and/or flavor) used in : |
| | meat |
| natural occurrence in : |
| not found in nature |
|