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| IUPAC name : | nonane-1,9-dithiol |
| InChI : | InChI=1/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2 |
| InChIKey : | GJRCLMJHPWCJEI-UHFFFAOYAO |
| SMILES : | C(CCCCS)CCCCS |
| cas number : | 3489-28-9 |
| (EINECS) number : | 222-482-0 |
| fema number : | 3513 |
| coe number : | 11558 |
| jecfa number : | 542 |
| fl. number : | 12.069 |
| molar refractivity : | 59.53 ± 0.3 cm3 |
| parachor : | 493.9 ± 4.0 cm3 |
| index of refraction : | 1.492 ± 0.02 |
| surface tension : | 33.5 ± 3.0 dyne/cm |
| density : | 0.937 ± 0.06 g/cm3 |
| polarizability : | 23.60 ± 0.5 10-24cm3 |
| XlogP : | 4.70 |
| molecular weight : | 192.3851000 |
| formula : | C9 H20 S2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Frutarom : | 1,9-NONANEDITHIOL
≥98.00%, Kosher
Odor: Fatty, Lamb |
| Penta : | 1,9-nonanedithiol
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| Sigma-Aldrich-SAFC : | 1,9-Nonanedithiol
≥95%, Kosher
Odor: meaty; sulfurous |
organoleptics :
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| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | sulfur meaty savory |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95200 to 0.95700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.922 to 7.963
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| refractive index : | 1.50000 to 1.51000 @ 20.00 °C.
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| boiling point : | 116.00 °C. @ 0.10 mm Hg
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| boiling point : | 351.00 to 352.00 °C. @ 760.00 mm Hg
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| vapor density : | 6.6 ( Air = 1 ) |
| flash point : | 215.00 °F. TCC ( 101.67 °C. )
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| logP (o/w) : | 4.40 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.0012 (μg/capita/day) |
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| recommendation for 1,9-nonane dithiol usage levels up to : | | | not for fragrance use.
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| recommendation for 1,9-nonane dithiol usage levels up to : | | | 10.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | | |
| | nonane-1,9-dithiol
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| (EINECS) number : | 222-482-0 |
| chemidplus : | 003489289 |
| EPA Substance Registry Services : | 3489-28-9 |
| dtp/nci : | 65658 |
references :
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| | nonane-1,9-dithiol
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| fl. number : | 12.069 |
| jecfa number : | 542 |
| NIST Chemistry WebBook : | 3057703177 |
| pubchem : | 203937 |
other :
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synonyms :
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| 1,9- | dimercaptononane | | | nonamethylene dimercaptan | | | nonane-1,9-dithiol | | 1,9- | nonanedithiol |
soluble in :
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| | alcohol | | | oils |
insoluble in :
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| | water |
(odor and/or flavor) blends with :
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| 4- | acetyl-2-methyl pyrimidine |
| 4- | allyl-2,6-dimethoxyphenol |
| 4- | aminobutyric acid |
| | amyl mercaptan |
| | asafetida oil |
| | bacon dithiazine |
| | benzothiazole |
| | benzyl methyl sulfide |
| 1,2- | butane dithiol |
| 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 |
| (E,E)-2,4- | decadien-1-al |
| 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 |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofuran thiol |
| (Z+E)-2,5- | dimethyl-3-thioacetoxytetrahydrofuran |
| 2,5- | dimethyl-3-thiofuroyl furan |
| 1,1- | ethane dithiol 1% in ethanol |
| 2- | ethoxythiazole |
| | 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 |
| | furfuryl thiopropionate |
| | hazelnut pyrazine |
| N-( | heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide |
| 1,6- | hexane dithiol |
| | hexyl mercaptan |
| | massoia bark oil |
| | meaty dithiane |
| 4- | mercapto-2-pentanone 1% in acetoin |
| (R*,S*)-2- | mercapto-3-butanol |
| 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 benzoxole |
| | methyl dihydrofuran thiol |
| 4- | methyl nonanoic acid |
| 2- | methyl pyrazine |
| 2- | methyl thiazolidine |
| 2-( | methyl thio) ethanol |
| 3-( | methyl thio) propanol |
| 12- | methyl tridecanal |
| 2- | methyl-1-methyl thio-2-butene |
| 2- | methyl-1,3-dithiolane |
| 3- | methyl-2-butane thiol |
| 2- | methyl-3-,5 or 6-(furfuryl thio) pyrazine |
| 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 |
| | nutty thiazole |
| 1,8- | octane dithiol |
| | peanut dithiazine |
| 4- | penten-1-yl acetate |
| 1- | phenethyl mercaptan |
| 1,3- | propane dithiol |
| 3-iso | propenyl pentane dioic acid |
| 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 |
| 3- | thiohexanol |
| 2,4,6- | trithiaheptane 10% in triacetin |
| | tyramine |
(odor and/or flavor) used in :
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| | lamb | | | meat | | | savory |
natural occurrence in :
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| not found in nature |
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