2-dodecanone
methyl decyl ketone

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  Decyl Methyl Ketone (2-Dodecanone)

Name: dodecan-2-one CAS Number: 6175-49-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 228-222-5 FDA UNII: P5CN8YSV3P Nikkaji Web: J97.897C Beilstein Number: 1703135 MDL: MFCD00015064 CoE Number: 11069 XlogP3: 4.60 (est) Molecular Weight: 184.32248000 Formula: C12 H24 O BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and fragrance 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 DG SANTE Food Flavourings: 07.158 dodecan-2-one   Physical Properties: Appearance: white liquid to crystals (est) Assay: 99.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.82500 to 0.83500 @ 25.00 °C. Pounds per Gallon - (est).: 6.865 to 6.948 Refractive Index: 1.43100 to 1.43700 @ 20.00 °C. Melting Point: 20.00 °C. @ 760.00 mm Hg Boiling Point: 245.00 to 246.00 °C. @ 760.00 mm Hg Boiling Point: 75.00 °C. @ 0.10 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.040000 mmHg @ 25.00 °C. (est) Flash Point: 230.00 °F. TCC ( 110.00 °C. ) logP (o/w): 4.544 (est) Soluble in:   alcohol   water, 13.99 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: citrus fruity citrus floral orange Odor Description:at 10.00 % in dipropylene glycol. fruity citrus floral orange Flavor Type: fatty fatty Taste Description: fatty Odor and/or flavor descriptions from others (if found). Bedoukian Research METHYL DECYL KETONE ≥97.0%, Kosher Odor Description:fruity citrus floral Used in citrus compositions with floral undertones.   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. METHYL DECYL KETONE 97.0% CJ Latta & Associates 2-DODECANONE DeLong Chemicals America Methyl decyl ketone Inoue Perfumery DECYL METHYL KETONE Lluch Essence METHYL DECYL KETONE Nagar Haveli Perfumes & Aromatics Methyl Decyl Ketone Natural Odor: Fruity citrus floral orange Penta International 2-DODECANONE Santa Cruz Biotechnology For experimental / research use only. 2-Dodecanone Sigma-Aldrich: Aldrich For experimental / research use only. 2-Dodecanone ≥97.0% (GC) sds TCI AMERICA For experimental / research use only. 2-Dodecanone >98.0%(GC) sds WholeChem Decyl Methyl Ketone (2-Dodecanone)   Safety Information: Preferred SDS: View European information : Most important hazard(s): None - None found. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.   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: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for 2-dodecanone usage levels up to:   4.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.73 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II   Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.   average usage mg/kg maximum usage mg/kg Dairy products, excluding products of category 02.0 (01.0): 3.00000 15.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.00000 10.00000 Edible ices, including sherbet and sorbet (03.0): 3.00000 15.00000 Processed fruit (04.1): 2.00000 10.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 4.00000 20.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.00000 10.00000 Bakery wares (07.0): 5.00000 25.00000 Meat and meat products, including poultry and game (08.0): 1.00000 5.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.00000 5.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.00000 10.00000 Foodstuffs intended for particular nutritional uses (13.0): 3.00000 15.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.00000 10.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.00000 20.00000 Ready-to-eat savouries (15.0): 5.00000 25.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.00000 10.00000   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): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):6175-49-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :22556 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 dodecan-2-one Chemidplus:0006175491   References:   dodecan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 22556 Pubchem (sid): 134987476 Pherobase: View   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 CHEMBL: View KEGG (GenomeNet): C14996 HMDB (The Human Metabolome Database): HMDB31019 FooDB: FDB003012 Export Tariff Code: 2914.19.0000 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (Z)-8- tetradecenal FL/FR aldehydic aldehydic decanal (aldehyde C-10) FL/FR (Z)-4- dodecenal FL/FR mandarine undecenal FL/FR TMH aldehyde FR balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR citronella 4,8- dimethyl-7-nonen-2-ol FR citrus acetaldehyde citronellyl methyl acetal FR bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR beta- bisabolol FL/FR citral diethyl acetal FL/FR citronitrile (Symrise) FR citrus floral green fragrance FR citrus ocimenol FR citrus specialty FR curacao specialty FR dihydromyrcenol FL/FR 2,4- dimethyl-3-cyclohexene-1-methanyl acetate FR 2- ethyl-1-hexanol FL/FR citrus floral fragrance FR 2- heptanol FL/FR lime octadienal FR lime oil distilled mexico FL/FR mandarin oil FL/FR mandarin oil (citrus reticulata nova var. mandarin) uruguay FL/FR mandarin oil italy FL/FR (Z+E)-2- methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde FL/FR 3- methyl-4-(2-methyl butyl oxy) butyraldehyde FR 1- methyl-4-methyl ethenyl cyclohexene sulfurized FL/FR nonanal dimethyl acetal FL/FR (±)-2,4,8- trimethyl-7-nonen-2-ol FL/FR 10- undecen-1-ol FL/FR verbena fragrance FR creamy 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR fatty butyl undecylenate FL/FR decanol FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR bois de rose oil brazil FL/FR bursera graveolens wood oil FL/FR citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR 2- decanone FL/FR (Z)-4- decen-1-yl acetate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR gardenia acetal FR geraniol FL/FR geranyl tiglate FL/FR linalool FL/FR menthadienyl formate FR methoxymelonal FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR muguet nitrile FR nerol FL/FR neroli oil tunisia FL/FR nerolidyl acetate FL/FR neryl isovalerate FL/FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR palmarosa oil FL/FR peony acetonitrile FR petitgrain concrete FR petitgrain lemon oil FL/FR petitgrain oil morocco FL/FR petitgrain oil replacer FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR rose undecene FR terpinyl formate FL/FR terpinyl valerate FL/FR tetrahydroionyl acetate FR tetrahydrolinalyl acetate FR (E)-2,5,9- trimethyl-4,9-decadien-1-al FR undecanal dimethyl acetal FR fruity iso amyl 2-methyl butyrate FL/FR benzaldehyde / methyl anthranilate schiff's base FR berry hexanoate FR iso butyl 2-methyl butyrate FL/FR iso butyl anthranilate FL/FR iso butyl furyl propionate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR ethyl citronellate FL/FR ethyl isobutyrate FL/FR ethyl levulinate FL/FR heptanal cyclic ethylene acetal FR heptyl isobutyrate FL/FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl acetoacetate FL/FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR iso propyl isobutyrate FL/FR rhubarb pyran FR 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR tropical specialty FR (E)-2- undecenal FL/FR green iso amyl 3-(2-furan) propionate FL/FR citrus carbaldehyde / methyl anthranilate schiff's base FR green carboxylate FR (Z)-3- hexen-1-yl isovalerate FL/FR hexoxyacetaldehyde dimethyl acetal FR dextro- limonene oxide FL/FR (2- methoxy-1-methyl butyl) benzene FR herbal chamomile isobutyrate FR chamomile propionate FR chamomile valerate FR clary propyl acetate FR 2- dodecenal FL/FR 6- methoxy-2,6-dimethyl octanal FR methyl cyclogeranate (Firmenich) FR (1S,5R)- myrtenyl acetate FL/FR alpha- terpinyl acetate FL/FR powdery alpha- methyl ionone FL/FR spicy para- anisyl formate FL/FR terpenic (E,E)-2,6-allo ocimene FL/FR alpha- terpineol FL/FR waxy decanal dimethyl acetal FL/FR 3- decanone FL/FR 1- undecanol FL/FR woody 2- decalinyl acetate FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL iso amyl angelate FL/FR amyl angelate FL bursera graveolens wood oil FL/FR 2- butyl thiophene FL beta- cubebene FL decanal dimethyl acetal FL/FR 3- decanone FL/FR (Z)-4- decen-1-yl acetate FL/FR 2,4- difurfuryl furan FL dihydronootkatone FL S-(2,5- dimethyl-3-furyl) ethane thioate FL (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (Z)-4- dodecenal FL/FR 3- mercaptooctanal FL methyl acetoacetate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (Z+E)-2- methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde FL/FR nerolidyl acetate FL/FR (E,E)-2,6-allo ocimene FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR iso propyl benzoate FL/FR iso propyl isobutyrate FL/FR (Z)-8- tetradecenal FL/FR 10- undecen-1-ol FL/FR iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR dextro- limonene oxide FL/FR aldehydic aldehydic 1- undecanol FL/FR berry heptyl isobutyrate FL/FR burnt ethyl 2-furoate FL citrus bergamot oil FL/FR bergamot oil bergaptene reduced italy FL/FR bergamot oil turkey FL/FR beta- bisabolol FL/FR citral diethyl acetal FL/FR dehydronootkatone FL lime oil distilled mexico FL/FR linalool FL/FR mandarin oil FL/FR mandarin oil (citrus reticulata nova var. mandarin) uruguay FL/FR mandarin oil italy FL/FR 1- methyl-4-methyl ethenyl cyclohexene sulfurized FL/FR nerol FL/FR neroli oil tunisia FL/FR petitgrain lemon oil FL/FR petitgrain oil morocco FL/FR alpha- terpineol FL/FR (±)-2,4,8- trimethyl-7-nonen-2-ol FL/FR dusty ethyl citronellate FL/FR ethereal ethyl isobutyrate FL/FR methyl isobutyrate FL/FR fatty 2- dodecenal FL/FR 4- ethyl octanoic acid FL/FR 2- ethyl-1-hexanol FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR fermented 2- decanone FL/FR floral bois de rose oil brazil FL/FR citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR geranyl tiglate FL/FR pseudo ionone FL alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR tropical ionone FL/FR fruity iso amyl 2-methyl butyrate FL/FR benzyl acetate FL/FR benzyl formate FL/FR iso butyl 2-methyl butyrate FL/FR iso butyl anthranilate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR (Z)-beta- damascone FL/FR (E)-beta- damascone FL/FR ethyl levulinate FL/FR 2- heptanol FL/FR 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR methyl 4-phenyl butyrate FL alpha- methyl ionone FL/FR neryl isovalerate FL/FR 3- nonanon-1-yl acetate FL/FR phenethyl isovalerate FL/FR 2- phenyl-4-pentenal FL terpinyl formate FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR grassy palmarosa oil FL/FR green (E)- citronellyl tiglate FL/FR dihydromyrcenol FL/FR (E)-2- heptenal FL (E,E)-2,4- hexadienal FL (Z)-3- hexen-1-yl isovalerate FL/FR nonanal dimethyl acetal FL/FR honey phenethyl isobutyrate FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR tropical alpha- amyl cinnamaldehyde FL/FR 3- mercaptohexyl acetate FL/FR waxy butyl undecylenate FL/FR decanal (aldehyde C-10) FL/FR decanol FL/FR mandarine undecenal FL/FR 4- phenyl-3-buten-2-ol FL/FR (E)-2- undecenal FL/FR woody methyl ionyl acetate FL/FR (1S,5R)- myrtenyl acetate FL/FR alpha- terpinyl acetate FL/FR   Potential Uses: FR citrus FR floral FR fruit   Occurrence (nature, food, other):note   cheese blue cheese - up to 1.8 mg/kg Search PMC Picture   cocoa - up to 1.8 mg/kg Search Trop Picture   croton flavens l. (welensali) leaf oil curacao @ trace% Data GC Search Trop Picture   glycosmis pentaphylla (cor.) bark oil india @ 0.20% Data GC Search Trop Picture   hop oil - up to 2,700 mg/kg Search Trop Picture   laurel leaf oil turkey @ trace% Data GC Search Trop Picture   milk - up to 1.8 mg/kg Search PMC Picture   petitgrain sweet oil @ 0.31% Data GC Search Picture   rue flower oil colombia @ 0.68% Data GC Search Trop Picture   rue oil china @ 0.54% Data GC Search Trop Picture   rue oil cuba @ 2.43% Data GC Search Trop Picture   Synonyms:   decyl methyl ketone N- decyl methyl ketone   dodecan-2-one   ketone, decyl methyl   methyl decyl ketone   Articles: US Patents:3,952,024 - Furfurylthioacetone US Patents:Certain 2,5-dimethyl-3-thiopyrazines

Notes: Constit. of essential oil of rue (Ruta graveolens). Also in hop oil (Humulus lupulus) and tomato leaf oil