(Z)-3-hexenal diethyl acetal
cis-3-hexenal, diethyl acetal

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  GSC102654104017 GSC102654104017
  Product(s):
  73545-18-3 (Z)-3-Hexenal Diethyl Acetal 97.0%(GC)

Name: (Z)-1,1-diethoxyhex-3-ene CAS Number: 73545-18-3 3D/inchi % from: 95.00% to 99.90% ECHA EINECS - REACH Pre-Reg: 277-532-7 FDA UNII: Search Nikkaji Web: J261.064G XlogP3-AA: 2.60 (est) Molecular Weight: 172.26780000 Formula: C10 H20 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Also(can) Contains: (E)-3-hexenal diethyl acetal 0.10% to 5.00% EFSA/JECFA Comments: CASrn in Register refers to the (Z)-isomer. 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: 06.063 (Z)-1,1-diethoxyhex-3-ene   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Boiling Point: 65.00 °C. @ 2.00 mm Hg Boiling Point: 70.00 °C. @ 4.00 mm Hg Vapor Pressure: 0.409000 mmHg @ 25.00 °C. (est) Vapor Density: >1 ( Air = 1 ) Flash Point: 140.00 °F. TCC ( 60.00 °C. ) logP (o/w): 2.843 (est) Soluble in:   alcohol   water, 179.9 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note acrolein diethyl acetal alpha-amyl cinnamaldehyde diethyl acetal para-anisaldehyde diethyl acetal benzaldehyde diethyl acetal butyraldehyde diethyl acetal isobutyraldehyde diethyl acetal cinnamaldehyde diethyl acetal citral diethyl acetal citronellal diethyl acetal citronellyl oxyacetaldehyde diethyl acetal crotonaldehyde diethyl acetal cyclamen aldehyde diethyl acetal cyclohexanone diethyl acetal decanal diethyl acetal (Z)-4-decen-1-al diethyl acetal dodecanal diethyl acetal 3-ethoxypropionaldehyde diethyl acetal ethyl vanillin diethyl acetal formaldehyde diethyl acetal furfural diethyl acetal heliotropyl diethyl acetal heptanal diethyl acetal (Z)-4-hepten-1-al diethyl acetal hexanal diethyl acetal (E)-2-hexen-1-al diethyl acetal alpha-hexyl cinnamaldehyde diethyl acetal hydroxycitronellal diethyl acetal methional diethyl acetal 2-methyl butyraldehyde diethyl acetal (E,Z)-2,6-nonadien-1-al diethyl acetal nonanal diethyl acetal isononanal diethyl acetal octanal diethyl acetal isooctanal diethyl acetal phenyl acetaldehyde diethyl acetal propionaldehyde diethyl acetal tridecanal diethyl acetal undecanal diethyl acetal valeraldehyde diethyl acetal isovaleraldehyde diethyl acetal   Organoleptic Properties: Odor Type: green Odor Strength:medium , recommend smelling in a 10.00 % solution or less Substantivity:4 hour(s) at 100.00 % natural apple juicy Odor Description:at 10.00 % in dipropylene glycol. natural apple juice Odor and/or flavor descriptions from others (if found). Bedoukian Research cis-3-HEXENAL DIETHYL ACETAL ≥95.0% (cis), Kosher Odor Description:A green apple, spicy odor with natural connotations Used mostly in fruity compositions.   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. (Z)-3-Hexenal Diethyl Acetal 97.0%(GC) Reincke & Fichtner cis-3-Hexenal Diethyl Acetal ZEON Chemicals cis-3-Hexenal DEA   Safety Information: European information : Most important hazard(s): Xn - Harmful. R 22 - Harmful if swallowed. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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.   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 IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for (Z)-3-hexenal diethyl acetal usage levels up to:   3.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.097 (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): Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific 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 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated View page or View pdf Scientific Opinion on Flavouring Group Evaluation 3, Revision 2 (FGE.03Rev2): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 and 4 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):73545-18-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5364291 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1993 WGK Germany:2 (Z)-1,1-diethoxyhex-3-ene Chemidplus:0073545183   References:   (Z)-1,1-diethoxyhex-3-ene NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 73545-18-3 Pubchem (cid): 5364291 Pubchem (sid): 135121266   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 HMDB (The Human Metabolome Database): Search Export Tariff Code: 2911.00.5000 ChemSpider: View   Potential Blenders and core components note For Odor animal methyl (E)-2-octenoate FL/FR buttery apple butter fragrance FR camphoreous herbal ethanone FR caramellic maltyl propionate FL/FR chemical propyl propionate FL/FR citrus methyl heptenone FL/FR fatty allyl octanoate FL/FR 3- decen-2-one FL/FR methyl 2-hexenoate FL/FR fermented hexanal diethyl acetal FL/FR floral citronellyl isovalerate FL/FR alpha- damascone FL/FR gamma- damascone FR (Z)-alpha- damascone FL/FR ethyl safranate FR hexyl 2-furoate FL/FR methyl citronellate FL/FR phenethyl hexanoate FL/FR 2- phenyl propyl isobutyrate FL/FR rose butanoate FL/FR fruity allyl 10-undecenoate FL/FR allyl 3,5,5-trimethyl hexanoate FL/FR allyl amyl glycolate FR allyl butyrate FL/FR allyl cinnamate FL/FR allyl cyclohexyl acetate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl propionate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR allyl propionate FL/FR allyl salicylate FR allyl sorbate FL/FR amyl 2-methyl butyrate FL/FR iso amyl 2-methyl butyrate FL/FR amyl butyrate FL/FR iso amyl hexanoate FL/FR amyl hexanoate FL/FR amyl isobutyrate FL/FR iso amyl isobutyrate FL/FR amyl isovalerate FL/FR iso amyl isovalerate FL/FR iso amyl octanoate FL/FR amyl propionate FL/FR iso amyl propionate FL/FR amyl valerate FL/FR iso amyl valerate FL/FR apple crotonate FR apple ketal FL/FR benzyl ethyl ether FL/FR benzyl isovalerate FL/FR benzyl propionate FL/FR iso butyl 2-butenoate FL/FR iso butyl acetate FL/FR iso butyl butyrate FL/FR butyl butyrate FL/FR iso butyl furyl propionate FL/FR butyl hexanoate FL/FR iso butyl hexanoate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl isovalerate FL/FR iso butyl isovalerate FL/FR butyl valerate FL/FR cherry pentenoate FL/FR cinnamyl isobutyrate FL/FR cyclohexyl butyrate FL/FR cyclohexyl hexanoate FL/FR cyclohexyl isovalerate FL/FR (E)-alpha- damascone FL/FR diethyl malonate FL/FR ethyl (Z)-4-octenoate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl 3-methyl valerate FL/FR ethyl 3,5,5-trimethyl hexanoate FR ethyl acetoacetate FL/FR ethyl butyrate FL/FR ethyl cyclohexane propionate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR ethyl propionate FL/FR ethyl valerate FL/FR fruity ketal FL/FR geranyl 2-methyl butyrate FL/FR geranyl acetoacetate FL/FR geranyl isovalerate FL/FR grape butyrate FL/FR green acetate FR 4- heptanone FL/FR heptyl isobutyrate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl formate FL/FR linalyl hexanoate FL/FR methyl (Z)-4-octenoate FL/FR methyl 2-methyl butyrate FL/FR methyl 2-methyl valerate FL/FR methyl 4-methyl valerate FL/FR 2- methyl butyl isovalerate FL/FR methyl butyrate FL/FR methyl hexanoate FL/FR methyl isobutyrate FL/FR methyl isovalerate FL/FR methyl propionate FL/FR methyl valerate FL/FR nonyl isovalerate FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR iso propyl butyrate FL/FR propyl heptanoate FL/FR iso propyl hexanoate FL/FR propyl hexanoate FL/FR iso propyl isobutyrate FL/FR propyl isovalerate FL/FR iso propyl isovalerate FL/FR iso propyl propionate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical ionone FL/FR 2- undecanone FL/FR vanilla carboxylate FL/FR green iso amyl 3-(2-furan) propionate FL/FR butyl heptanoate FL/FR cognac heptanone FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR ethyl (E)-2-decenoate FL/FR ethyl (E)-4-decenoate FL/FR galbanum oxyacetate FR galbascone (IFF) FR heptyl formate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR 3- hexenal FL/FR (Z)-3- hexenal FL/FR 3- hexenyl 2-methyl butyrate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR (Z)-5- octen-1-yl propionate FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR pineapple heptadienone 10% FR propyl tiglate FL/FR sorbyl isobutyrate FL/FR herbal benzyl octanoate FL/FR 3- octyl acetate FL/FR tagete oil india FL/FR nutty 2- methyl-3-ethoxypyrazine FL/FR spicy apple spice fragrance FR cinnamyl isovalerate FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR mango thiol FL/FR tropical ethyl (Z)-3-hexenoate FL/FR cis- galbanum oxathiane FL/FR tropical 3-thiobutyrate FL/FR 2- tropical oxathiane FL/FR waxy allyl nonanoate FL/FR ethyl decanoate FL/FR nonyl acetate FL/FR (E)-2- tridecen-1-yl acetate FL/FR woody iso bornyl isovalerate FL/FR marine formate FR For Flavor No flavor group found for these allyl 10-undecenoate FL/FR allyl 3,5,5-trimethyl hexanoate FL/FR allyl cinnamate FL/FR allyl cyclohexyl butyrate FL/FR allyl cyclohexyl valerate FL allyl sorbate FL/FR amyl 2-methyl butyrate FL/FR iso amyl 3-methyl thiopropionate FL amyl isobutyrate FL/FR amyl isovalerate FL/FR amyl propionate FL/FR amyl valerate FL/FR benzyl ethyl ether FL/FR benzyl octanoate FL/FR citronellyl isovalerate FL/FR cyclohexyl butyrate FL/FR cyclohexyl hexanoate FL/FR (Z)-alpha- damascone FL/FR ethyl (Z)-3-hexenoate FL/FR ethyl 3-methyl valerate FL/FR ethyl cyclohexane propionate FL/FR geranyl 2-methyl butyrate FL/FR geranyl acetoacetate FL/FR heptyl 2-methyl butyrate FL hexanal diethyl acetal FL/FR 2- hexenal FL 2- hexenal diethyl acetal FL (E)-2- hexenal dimethyl acetal FL linalyl hexanoate FL/FR methyl (Z)-4-octenoate FL/FR methyl 2-hexenoate FL/FR 2- methyl-3-ethoxypyrazine FL/FR nonyl isovalerate FL/FR 2- phenyl propyl isobutyrate FL/FR iso propyl hexanoate FL/FR iso propyl isobutyrate FL/FR iso propyl isovalerate FL/FR propyl isovalerate FL/FR propyl tiglate FL/FR sorbyl propionate FL (E)-2- tridecen-1-yl acetate FL/FR iso amyl 3-(2-furan) propionate FL/FR iso butyl furyl propionate FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous allyl propionate FL/FR berry heptyl isobutyrate FL/FR caramellic maltyl propionate FL/FR citrus cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR estery ethyl acetoacetate FL/FR ethereal methyl isobutyrate FL/FR fatty allyl octanoate FL/FR ethyl (E)-4-decenoate FL/FR heptyl formate FL/FR floral methyl citronellate FL/FR tropical ionone FL/FR fruity allyl cyclohexyl acetate FL/FR allyl cyclohexyl propionate FL/FR allyl heptanoate FL/FR allyl hexanoate FL/FR allyl isovalerate FL/FR allyl phenoxyacetate FL/FR iso amyl 2-methyl butyrate FL/FR amyl butyrate FL/FR amyl hexanoate FL/FR iso amyl hexanoate FL/FR iso amyl isobutyrate FL/FR iso amyl octanoate FL/FR iso amyl propionate FL/FR iso amyl valerate FL/FR apple ketal FL/FR benzyl isovalerate FL/FR benzyl propionate FL/FR iso butyl acetate FL/FR iso butyl butyrate FL/FR butyl butyrate FL/FR butyl heptanoate FL/FR iso butyl hexanoate FL/FR butyl hexanoate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR butyl isovalerate FL/FR butyl valerate FL/FR cherry pentenoate FL/FR cinnamyl isobutyrate FL/FR cinnamyl isovalerate FL/FR cyclohexyl isovalerate FL/FR (E)-alpha- damascone FL/FR alpha- damascone FL/FR diethyl malonate FL/FR ethyl (E)-2-decenoate FL/FR ethyl (E)-2-octenoate FL ethyl (Z)-4-octenoate FL/FR ethyl 2-methyl butyrate FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hexenoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl butyrate FL/FR ethyl heptanoate FL/FR ethyl hexanoate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR ethyl propionate FL/FR ethyl valerate FL/FR fruity ketal FL/FR furfuryl valerate FL 4- heptanone FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR methyl (E)-2-octenoate FL/FR methyl 2-methyl butyrate FL/FR methyl 2-methyl valerate FL/FR methyl 4-methyl valerate FL/FR 2- methyl butyl isovalerate FL/FR methyl hexanoate FL/FR methyl isovalerate FL/FR methyl propionate FL/FR methyl valerate FL/FR pineapple hydroxyhexanoate FL/FR pineapple pentenoate FL/FR iso propyl 2-methyl butyrate FL/FR iso propyl butyrate FL/FR propyl butyrate FL/FR propyl hexanoate FL/FR iso propyl propionate FL/FR rose butanoate FL/FR tetrahydrofurfuryl butyrate FL/FR vanilla carboxylate FL/FR fusel methyl butyrate FL/FR green allyl butyrate FL/FR iso amyl isovalerate FL/FR iso butyl 2-butenoate FL/FR iso butyl isovalerate FL/FR 3- decen-2-one FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR cis- galbanum oxathiane FL/FR geranyl isovalerate FL/FR grape butyrate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (E)-2- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (Z)-3- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR 3- hexenal FL/FR (Z)-3- hexenal FL/FR (E)-2- hexenal diethyl acetal FL 3- hexenyl 2-methyl butyrate FL/FR hexyl (E)-tiglate FL/FR hexyl 2-furoate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl formate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR methyl heptenone FL/FR 4- methyl-2-pentenal FL (Z)-5- octen-1-yl propionate FL/FR 3- octyl acetate FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR herbal tagete oil india FL/FR sulfurous ethyl methyl mercaptopropionate FL/FR mango thiol FL/FR methyl 4-(methyl thio) butyrate FL tropical 3-thiobutyrate FL/FR tropical propyl propionate FL/FR 2- tropical oxathiane FL/FR waxy allyl nonanoate FL/FR ethyl decanoate FL/FR nonyl acetate FL/FR phenethyl hexanoate FL/FR propyl heptanoate FL/FR 2- undecanone FL/FR woody iso bornyl isovalerate FL/FR   Potential Uses: FR apple FR fruit FR green FR spice   Occurrence (nature, food, other):note   not found in nature   Synonyms: (Z)-1,1- diethoxyhex-3-ene cis-1,1- diethoxyhex-3-ene (Z)-3- hexen-1-al diethyl acetal cis-3- hexen-1-al diethyl acetal cis-3- hexenal DEA cis-3- hexenal diethyl acetal cis-3- hexenal, diethyl acetal 3- hexene, 1,1-diethoxy-, (3Z)- 3- hexene, 1,1-diethoxy-, (Z)-   Articles:   None found yet. 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Notes: For natural green apple blends.