4,4'-thiobis-2-butanone
di(butan-3-one-1-yl) sulfide

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  40790-04-3 4,4'-Thiobis(2-butanone)

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  20-28500 4,4-THIOBIS-2-BUTANONE

CAS Number: 40790-04-3 3D/inchi FDA UNII: YYI4W02CLD Nikkaji Web: J422.427B MDL: MFCD12911594 CoE Number: 11441 XlogP3-AA: 0.20 (est) Molecular Weight: 174.26298000 Formula: C8 H14 O2 S NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 502 di(butan-3-one-1-yl) sulfide DG SANTE Food Flavourings: 12.052 di-(3-oxobutyl) sulfide FEMA Number: 3335 di(butan-3-one-1-yl) sulfide FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 40790-04-3 ; DI-(BUTAN-3-ONE-1-YL) SULFIDE   Physical Properties: Assay: 99.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 95.00 °C. @ 0.10 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: 250.00 °F. TCC ( 121.11 °C. ) logP (o/w): 0.315 (est) Soluble in:   water, 9.293e+004 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: spicy spicy fresh green Odor Description:at 0.10 % in propylene glycol. spicy fresh green Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 4,4'-Thiobis(2-butanone) Parchem 4,4'-thiobis-2-butanone Penta International 4,4-THIOBIS-2-BUTANONE Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   Hazards identification   Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) None found. GHS Label elements, including precautionary statements   Pictogram   Hazard statement(s) None found. Precautionary statement(s) None found. Oral/Parenteral Toxicity: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 4,4'-thiobis-2-butanone usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day) Structure Class: I 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). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 6 Click here to view publication 6   average usual ppm average maximum ppm baked goods: - 2.00000 beverages(nonalcoholic): - 1.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 1.00000 fruit ices: - 1.00000 gelatins / puddings: - 2.00000 granulated sugar: - - gravies: - - hard candy: - 2.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):40790-04-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61989 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 4-(3-oxobutylsulfanyl)butan-2-one Chemidplus:0040790043   References:   4-(3-oxobutylsulfanyl)butan-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 40790-04-3 Pubchem (cid): 61989 Pubchem (sid): 135019679   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB37155 FooDB: FDB016150 ChemSpider: View FAO: Di(butan-3-one-1-yl) sulfide   Potential Blenders and core components note For Odor anisic estragole FL/FR ocimum basilicum herb oil FL/FR ocimum basilicum herb oil egypt FL/FR ocimum basilicum leaf oil america FL/FR ocimum basilicum leaf oil CO2 extract FL/FR ocimum basilicum leaf oil india FL/FR balsamic (E)- cinnamyl alcohol FL/FR guaiyl acetate FL/FR mastic oil FL/FR 2- phenyl propyl alcohol FL/FR annus wormwood oil france FL/FR citrus bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR coumarinic coumane FL/FR fatty (R)-gamma- octalactone FL/FR floral cananga oil FL/FR geranium oil FL/FR geranium oil bourbon FL/FR geranium oil china FL/FR muguet carbinol FL/FR rose absolute FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose absolute (rosa damascena) turkey FL/FR fruity para- anisyl methyl ketone FL/FR cinnamyl hexanoate FL/FR green holy basil leaf oil FL/FR black currant bud absolute replacer FL/FR hop oil CO2 extract FL/FR murraya koenigii leaf oil india FL/FR herbal anethum graveolens herb oil FL/FR anethum graveolens herb tincture FL/FR wild carrot seed oil CO2 extract FL/FR wild carrot seed oil terpeneless FL/FR celery ketone FL/FR clary sage absolute FL/FR daucus carota fruit oil FL/FR dill weed oil cuba FL/FR dill weed oil reunion FL/FR hop absolute FL/FR hop oil FL/FR curled parsley seed oil FL/FR perilla leaf oil FL/FR petroselinum crispum seed oil CO2 extract FL/FR thyme absolute FL/FR licorice ocimum basilicum herb oil vietnam FL/FR ocimum basilicum leaf oil terpeneless FL/FR spicy iso butyl angelate FL/FR cinnamaldehyde dimethyl acetal FL/FR cumin seed absolute FL/FR cuminaldehyde FL/FR black currant bud absolute FL/FR 2- octanol FL/FR annus wormwood oil vietnam FL/FR sulfurous lychee mercaptan acetate FL/FR For Flavor No flavor group found for these holy basil leaf oil FL/FR (E)- cinnamyl alcohol FL/FR cinnamyl hexanoate FL/FR coumane FL/FR guaiyl acetate FL/FR (E)-3- hexen-1-yl crotonate FL (R)-gamma- octalactone FL/FR perilla leaf oil FL/FR annus wormwood oil france FL/FR anisic anisic ocimum basilicum herb oil egypt FL/FR balsamic mastic oil FL/FR citrus bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR ethereal 4- hexen-3-one FL floral cananga oil FL/FR geranium oil FL/FR geranium oil bourbon FL/FR geranium oil china FL/FR muguet carbinol FL/FR rose absolute FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose absolute (rosa damascena) turkey FL/FR fruity black currant bud absolute replacer FL/FR (E,E)- methyl sorbate FL green anethum graveolens herb tincture FL/FR iso butyl angelate FL/FR celery ketone FL/FR 4- methyl-2-pentenal FL 2- phenyl propyl alcohol FL/FR herbal anethum graveolens herb oil FL/FR wild carrot seed oil CO2 extract FL/FR wild carrot seed oil terpeneless FL/FR clary sage absolute FL/FR daucus carota fruit oil FL/FR dill weed oil cuba FL/FR dill weed oil reunion FL/FR hop absolute FL/FR hop oil FL/FR ocimum basilicum herb oil FL/FR ocimum basilicum leaf oil america FL/FR ocimum basilicum leaf oil CO2 extract FL/FR ocimum basilicum leaf oil india FL/FR oregano oleoresin FL curled parsley seed oil FL/FR petroselinum crispum seed oil CO2 extract FL/FR thyme absolute FL/FR juicy lychee mercaptan acetate FL/FR licorice estragole FL/FR ocimum basilicum herb oil vietnam FL/FR ocimum basilicum leaf oil terpeneless FL/FR spicy para- anisyl methyl ketone FL/FR cinnamaldehyde dimethyl acetal FL/FR cumin seed absolute FL/FR cuminaldehyde FL/FR black currant bud absolute FL/FR hop oil CO2 extract FL/FR murraya koenigii leaf oil india FL/FR 2- octanol FL/FR annus wormwood oil vietnam FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2- butanone, 4,4'-thiobis- 2- butanone, 4,4'-thiodi- 4-(3-oxo butylsulfanyl)butan-2-one 4-(3-oxo butylthio)butan-2-one   di-(3-oxobutyl) sulfide   di-(butan-3-one-1-yl) sulfide   di-(butan-3-one-1-yl)sulfide   di(butan-3-one-1-yl) sulfide 5- thianona-2,8-dione 4,4'- thiobis(2-butanone) 4,4'- thiodi (2-butanone) 4,4'- thiodi(2-butanone)   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring and perfumery ingredient