diethyl maleate
maleic acid diethyl ester

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  Synerzine, Inc.

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  Diethyl maleate

Name: diethyl but-2-enedioate CAS Number: 141-05-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 205-451-9 FDA UNII: G81WQB56OL Beilstein Number: 1100825 MDL: MFCD00009191 CoE Number: 10551 XlogP3-AA: 0.90 (est) Molecular Weight: 172.18044000 Formula: C8 H12 O4 NMR Predictor: Predict (works with chrome, Edge or firefox) Name: diethyl (E)-but-2-enedioate CAS Number: 141-05-9 (E) 3D/inchi FDA UNII: Search Nikkaji Web: J43.455H XlogP3-AA: 0.90 (est) Molecular Weight: 172.18044000 Formula: C8 H12 O4 BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) Name: diethyl (Z)-but-2-enedioate CAS Number: 141-05-9 (Z) 3D/inchi FDA UNII: Search Nikkaji Web: J5.802E XlogP3-AA: 0.90 (est) Molecular Weight: 172.18044000 Formula: C8 H12 O4 BioActivity Summary: listing 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 DG SANTE Food Flavourings: 09.351 diethyl maleate FDA Mainterm (IAUFC): 141-05-9 ; ETHYL MALEATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 1.04900 to 1.05500 @ 25.00 °C. Pounds per Gallon - (est).: 8.729 to 8.779 Refractive Index: 1.43800 to 1.44500 @ 20.00 °C. Melting Point: -10.00 to -8.00 °C. @ 760.00 mm Hg Boiling Point: 218.00 °C. @ 760.00 mm Hg Boiling Point: 91.00 to 92.00 °C. @ 1.00 mm Hg Vapor Pressure: 1.000000 mmHg @ 14.00 °C. Vapor Density: 5.93 ( Air = 1 ) Flash Point: 200.00 °F. TCC ( 93.33 °C. ) logP (o/w): 1.449 (est) Soluble in:   alcohol   water, 1.40E+04 mg/L @ 30 °C (exp)   Organoleptic Properties: Odor Type: fruity fruity banana citrus Odor Description:at 100.00 %. fruity banana citrus Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: not used anymore   Suppliers: Beijing Lys Chemicals Diethyl Maleate BOC Sciences For experimental / research use only. Diethyl Maleate 99.07 % Charkit Chemical DIMETHYL MALEATE EMD Millipore For experimental / research use only. Diethyl Maleate sds Inoue Perfumery DIETHYL MALEATE Kingchem Laboratories Diethyl Maleate Penta International DIETHYL MALEATE Santa Cruz Biotechnology For experimental / research use only. Diethylmaleate ≥97% Sigma-Aldrich Diethyl maleate, ≥96%, FG sds Odor: banana; citrus. Certified Food Grade Products Synerzine diethyl maleate TCI AMERICA For experimental / research use only. Diethyl Maleate >90.0%(GC) sds Tianjin Danjun International Diethyl maleate WholeChem Diethyl maleate   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xi - Irritant R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection.   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. Human Experience: 4 % solution: no irritation or sensitization. Oral/Parenteral Toxicity: gavage-rat LD50 [sex: M] 3200 mg/kg (Smyth et al., 1949) intraperitoneal-rat LD50 3070 mg/kg SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS Toxicology and Applied Pharmacology. Vol. 52, Pg. 422, 1980. oral-rat LD50 3200 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. Dermal Toxicity: skin-rabbit LD50 4 ml/kg Union Carbide Data Sheet. Vol. 10/29/1957 skin-rat LD50 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 443, 1976. Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents IFRA Critical Effect: Dermal sensitization   View the IFRA Standard Recommendation for diethyl maleate usage levels up to:   PROHIBITED: Should not be used as a fragrance ingredient.   Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I   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): 7.00000 35.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.00000 25.00000 Edible ices, including sherbet and sorbet (03.0): 10.00000 50.00000 Processed fruit (04.1): 7.00000 35.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 10.00000 50.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.00000 25.00000 Bakery wares (07.0): 10.00000 50.00000 Meat and meat products, including poultry and game (08.0): 2.00000 10.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.00000 10.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.00000 25.00000 Foodstuffs intended for particular nutritional uses (13.0): 10.00000 50.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.00000 25.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000 50.00000 Ready-to-eat savouries (15.0): 20.00000 100.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.00000 25.00000   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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf EPI System: View Chemical Carcinogenesis Research Information System:Search AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search Carcinogenic Potency Database:Search EPA Substance Registry Services (TSCA):141-05-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :12201 National Institute of Allergy and Infectious Diseases:Data SCCNFP:opinion WGK Germany:2 diethyl but-2-enedioate Chemidplus:0000141059 RTECS:ON1225000 for cas# 141-05-9 diethyl (E)-but-2-enedioate diethyl (Z)-but-2-enedioate   References:   diethyl but-2-enedioate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 141-05-9 Pubchem (cid): 12201 Pubchem (sid): 29280450   diethyl (E)-but-2-enedioate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 141-05-9 Pubchem (cid): 638144 Pubchem (sid): 155519   diethyl (Z)-but-2-enedioate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 141-05-9 Pubchem (cid): 5271566 Pubchem (sid): 10507745   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 Indirect Additives used in Food Contact Substances: View CHEBI: View HMDB (The Human Metabolome Database): Search Export Tariff Code: 2917.19.2700 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View   Potential Blenders and core components note For Odor No odor group found for these (Z)-2- penten-1-yl hexanoate FL/FR citrus citrus methyl heptenone FL/FR earthy methyl 3-hexenoate FL/FR ethereal butyl acetate FL/FR cyclohexyl formate FL/FR iso propyl acetate FL/FR fatty allyl octanoate FL/FR methyl (E)-2-hexenoate FL/FR (E)-2- octenal FL/FR fermented iso amyl alcohol FL/FR 2- pentanol FL/FR floral benzyl acetate FL/FR benzyl acetoacetate FL/FR (E)- geranyl acetone FL/FR linalyl butyrate FL/FR phenethyl hexanoate FL/FR fruity allyl heptanoate FL/FR allyl isovalerate FL/FR iso amyl acetate FL/FR amyl acetate FL/FR iso amyl butyrate FL/FR amyl butyrate FL/FR amyl formate FL/FR amyl heptanoate FL/FR iso amyl hexanoate FL/FR amyl isobutyrate FL/FR iso amyl isobutyrate FL/FR iso amyl propionate FL/FR benzyl propionate FL/FR iso butyl acetate FL/FR butyl butyrate FL/FR iso butyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl isovalerate FL/FR butyl propionate FL/FR iso butyl propionate FL/FR butyl valerate FL/FR cyclohexyl acetate FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR 2- ethyl butyl acetate FL/FR ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR furfuryl acetate FL/FR (E)-2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR hexyl acetate FL/FR hexyl formate FL/FR methyl 4-methyl valerate FL/FR 2- methyl butyl acetate FL/FR methyl butyrate FL/FR methyl propionate FL/FR 2- pentanone FL/FR 2- pentyl butyrate FL/FR pineapple pentenoate FL/FR prenyl acetate FL/FR propyl acetate FL/FR iso propyl octanoate FL/FR iso propyl propionate FL/FR green actinidia chinensis fruit extract FL/FR iso amyl formate FL/FR cognac heptanone FL/FR green note propionate FL/FR (Z)-3- hepten-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl formate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR 3- hexenyl acetate FL/FR hexyl 2-methyl butyrate FL/FR hexyl isobutyrate FL/FR (Z)-5- octen-1-yl propionate FL/FR 3- octyl formate FL/FR herbal iso amyl heptanoate FL/FR 2- pentyl acetate FL/FR waxy iso amyl decanoate FL/FR ethyl octanoate FL/FR For Flavor No flavor group found for these amyl isobutyrate FL/FR sec- butyl acetate FL (Z)-3- hepten-1-yl acetate FL/FR 3- hexenyl acetate FL/FR methyl (E)-2-hexenoate FL/FR (Z)-2- penten-1-yl hexanoate FL/FR benzyl acetoacetate FL/FR citrus citrus cognac heptanone FL/FR dairy 2- pentyl acetate FL/FR estery furfuryl acetate FL/FR propyl acetate FL/FR ethereal butyl acetate FL/FR iso propyl acetate FL/FR fatty allyl octanoate FL/FR (E)-2- octenal FL/FR floral (E)- geranyl acetone FL/FR linalyl butyrate FL/FR fruity allyl heptanoate FL/FR allyl isovalerate FL/FR amyl acetate FL/FR iso amyl acetate FL/FR amyl butyrate FL/FR amyl formate FL/FR amyl heptanoate FL/FR iso amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl propionate FL/FR banana distillates FL benzyl acetate FL/FR benzyl propionate FL/FR iso butyl acetate FL/FR butyl butyrate FL/FR iso butyl butyrate FL/FR butyl isobutyrate FL/FR butyl propionate FL/FR iso butyl propionate FL/FR butyl valerate FL/FR cyclohexyl isovalerate FL/FR cyclohexyl propionate FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR 2- ethyl butyl acetate FL/FR ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR furfuryl butyrate FL furfuryl propionate FL (E)-3- hexen-1-yl acetate FL/FR hexyl acetate FL/FR methyl 3-hexenoate FL/FR methyl 4-methyl valerate FL/FR 2- methyl butyl acetate FL/FR methyl propionate FL/FR 2- pentanone FL/FR 2- pentyl butyrate FL/FR pineapple pentenoate FL/FR prenyl acetate FL/FR iso propyl octanoate FL/FR iso propyl propionate FL/FR fusel iso amyl alcohol FL/FR methyl butyrate FL/FR green actinidia chinensis fruit extract FL/FR iso amyl formate FL/FR iso butyl isovalerate FL/FR cyclohexyl formate FL/FR green note propionate FL/FR (E)-2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl formate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl pyruvate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR hexyl 2-methyl butyrate FL/FR hexyl formate FL/FR hexyl isobutyrate FL/FR methyl heptenone FL/FR (Z)-5- octen-1-yl propionate FL/FR herbal iso amyl heptanoate FL/FR musty 2- pentanol FL/FR rummy (E)-2- hexen-1-yl formate FL/FR solvent cyclohexyl acetate FL/FR waxy iso amyl butyrate FL/FR iso amyl decanoate FL/FR ethyl octanoate FL/FR 3- octyl formate FL/FR phenethyl hexanoate FL/FR   Potential Uses: FL almond FR almond FL apple FR crabapple FL apple green apple FL apple red apple FL apricot FL arrack FL banana FR berry jam FL berry mixed berry FL blackberry FL blueberry FR boronia FR boxwood berry FL boysenberry FR bramble arctic bramble blackberry FL brandy apricot brandy FR briar wood FL bubble gum FL cherry FL cherry black cherry FL cherry maraschino cherry FL cherry wild cherry FL cloudberry bakeapple FR currant FL currant black currant FL currant red currant FL date FR davana oil replacer FL durian FL elder berry FL fig FR fruit   fruit dried fruit   fruit jam FR fruit juicy fruit FL fruit punch FL fruit tropical fruit FL gooseberry FL grape FL grape concord grape FL grape white grape FL grapefruit FL guava FR hibiscus FL honeydew FL huckleberry FL/FR immortelle FR iris blossom FL jackfruit   jam FL kiwi FL loganberry FL lychee FL mango FL/FR marigold FL melon FR melon FL mulberry FR myrtle oil replacer FL/FR orange bitter orange peel FR osmanthus FL papaya FR passion blossom FR passion fruit FL peach FL pear FL pear bartlett pear FL pear emperor pear FL pineapple FL plum FL plum greengage plum   plum jam FR plum mirabelle plum FL pomegranate FL prune FL quince FL raisin FL raspberry FL raspberry black raspberry   raspberry green raspberry   raspberry jam FL raspberry red raspberry   ripe   rose wild rose FL/FR rue FR stephanotis FL strawberry   strawberry jam FR tangerine FL tutti frutti FL watermelon   Occurrence (nature, food, other):note   fungi Search PMC Picture   Synonyms: (Z)-2- butene dioic acid diethyl ester   diethyl but-2-enedioate   maleic acid diethyl ester   Articles:   None found yet. Try the PubMed Search.

Notes: None found