acitral
(+/-)-trans- and cis-5-(2,2-dimethylcyclopropyl)-3-methyl-2-pentenal

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Name: (E)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal CAS Number: 877-60-1 3D/inchi % from: 45.00% to 48.00% FDA UNII: OO42EX51SR Nikkaji Web: J2.717.055B XlogP3-AA: 3.40 (est) Molecular Weight: 166.26366000 Formula: C11 H18 O NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (Z)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal CAS Number: 877-60-1 (Z) 3D/inchi % from: 43.00% to 45.00% FDA UNII: Search XlogP3-AA: 3.40 (est) Molecular Weight: 166.26366000 Formula: C11 H18 O NMR Predictor: Predict (works with chrome, Edge or firefox)   citral 0.10% to 9.90% 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: 1817 (+/-) (E,Z)-5-(2,2-dimethylcyclopropyl)-3-methyl-2-pentenal FEMA Number: 4105 (+/-)-trans- and cis-5-(2,2-dimethylcyclopropyl)-3-methyl-2-pentenal FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 877-60-1 ; (+/-)-TRANS- AND CIS-5-(2,2-DIMETHYLCYCLOPROPYL)-3-METHYL-2-PENTENAL   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 90.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.87400 to 0.87800 @ 25.00 °C. Pounds per Gallon - (est).: 7.273 to 7.306 Refractive Index: 1.49500 to 1.50100 @ 20.00 °C. Boiling Point: 234.00 to 237.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.060000 mmHg @ 25.00 °C. (est) Flash Point: 158.00 °F. TCC ( 69.80 °C. ) (est) logP (o/w): 3.528 (est) Soluble in:   alcohol   water, 36.54 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:at 100.00 %. citrus lemon Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Axsyn For experimental / research use only. 2-Pentenal,5-(2,2-dimethylcyclopropyl)-3-methyl- Parchem acitral   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 acitral usage levels up to:   not for fragrance use.   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: 22 Click here to view publication 22   average usual ppm average maximum ppm baked goods: 133.00000 178.00000 beverages(nonalcoholic): 17.00000 28.00000 beverages(alcoholic): 3.00000 6.00000 breakfast cereal: - - cheese: - - chewing gum: 147.00000 430.00000 condiments / relishes: 10.00000 10.00000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 22.00000 34.00000 fruit ices: - - gelatins / puddings: 1.00000 10.00000 granulated sugar: - - gravies: 1.00000 1.00000 hard candy: 8.00000 115.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: 1.00000 2.00000 milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: 142.00000 181.00000 soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :11962784 National Institute of Allergy and Infectious Diseases:Data (E)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal Chemidplus:0000877601 (Z)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal   References:   (E)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal NIST Chemistry WebBook: Search Inchi Pubchem (cid): 11962784 Pubchem (sid): 36460015   (Z)-5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enal NIST Chemistry WebBook: Search Inchi Pubchem (cid): 11665469 Pubchem (sid): 23764912   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): Search FooDB: FDB009308 ChemSpider: View   Potential Blenders and core components note For Odor camphoreous fenchol FL/FR citrus bergamot oil bergaptene reduced italy FL/FR beta- bisabolol FL/FR cedrat peel oil FL/FR citral FL/FR (E)- citral FL/FR (Z)- citral FL/FR citral diethyl acetal FL/FR citral dimethyl acetal FL/FR citral propylene glycol acetal FL/FR citronella oil ceylon FL/FR citrus limon extract FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-yl acetate FL/FR 2- heptanol FL/FR lemon hexadiene FL/FR lemon oil FL/FR lemon oil c.p. africa FL/FR lemon oil c.p. argentina FL/FR lemon oil c.p. brazil FL/FR lemon oil c.p. california FL/FR lemon oil c.p. furocoumarin reduced FL/FR lemon oil folded argentina FL/FR lemon oil folded brazil FL/FR lemon oil folded california FL/FR lemon oil italy FL/FR lemon oil terpeneless FL/FR lemon oil terpenes FL/FR lemon oil washed FL/FR lemongrass oil FL/FR lemongrass oil guatemala FL/FR lemongrass oil morocco FL/FR lemongrass oil terpenes FL/FR litsea cubeba fruit oil FL/FR litsea cubeba oil terpeneless FL/FR methyl heptenone FL/FR (Z+E)-2- methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde FL/FR ocimenol FL/FR tetrahydrocitral FL/FR verbena absolute france FL/FR verbena oil spain FL/FR verbena oil terpeneless FL/FR floral alpha- amyl cinnamaldehyde dimethyl acetal FL/FR citronellal FL/FR lemon oil distilled FL/FR nerol FL/FR petitgrain lemon oil FL/FR petitgrain lemon oil terpeneless FL/FR phenyl amyl alcohol FL/FR fruity amyl heptanoate FL/FR green iso decanal FL/FR 2,4- ivy carbaldehyde FL/FR herbal canarium luzonicum gum FL/FR canarium luzonicum oil FL/FR terpinolene FL/FR spicy piper longum fruit oil FL/FR terpenic elemi resinoid FL/FR gamma- terpinene FL/FR alpha- terpineol FL/FR woody (E+Z)-4,8- dimethyl-3,7-nonadien-2-ol FL/FR litsea cubeba oil terpenes FL/FR alpha- terpinene FL/FR For Flavor No flavor group found for these alpha- amyl cinnamaldehyde dimethyl acetal FL/FR balm leaf powder FL bitterness blockers FL cedrat peel oil FL/FR citral propylene glycol acetal FL/FR Citreatt® specialties FL iso decanal FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-ol FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-yl acetate FL/FR litsea cubeba oil terpenes FL/FR 4- mercapto-4-methyl-2-pentanol FL (Z+E)-2- methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde FL/FR ocimenol FL/FR phenyl amyl alcohol FL/FR tetrahydrocitral FL/FR camphoreous camphoreous fenchol FL/FR citrus bergamot oil bergaptene reduced italy FL/FR beta- bisabolol FL/FR (E)- citral FL/FR citral FL/FR (Z)- citral FL/FR citral diethyl acetal FL/FR citral dimethyl acetal FL/FR citronella oil ceylon FL/FR citrus enhancer FL citrus limon extract FL/FR lemon carbonyls FL lemon hexadiene FL/FR lemon oil FL/FR lemon oil c.p. africa FL/FR lemon oil c.p. argentina FL/FR lemon oil c.p. brazil FL/FR lemon oil c.p. california FL/FR lemon oil c.p. furocoumarin reduced FL/FR lemon oil distilled FL/FR lemon oil folded argentina FL/FR lemon oil folded brazil FL/FR lemon oil folded california FL/FR lemon oil italy FL/FR lemon oil sesquiterpeneless FL lemon oil terpeneless FL/FR lemon oil terpenes FL/FR lemon oil washed FL/FR lemongrass oil FL/FR lemongrass oil guatemala FL/FR lemongrass oil morocco FL/FR lemongrass oil terpenes FL/FR lemonless lemon key FL litsea cubeba fruit oil FL/FR nerol FL/FR petitgrain lemon oil FL/FR petitgrain lemon oil terpeneless FL/FR alpha- terpineol FL/FR verbena absolute france FL/FR verbena oil france FL verbena oil spain FL/FR verbena oil terpeneless FL/FR floral citronellal FL/FR fruity amyl heptanoate FL/FR 2- heptanol FL/FR green canarium luzonicum gum FL/FR canarium luzonicum oil FL/FR elemi resinoid FL/FR 2,4- ivy carbaldehyde FL/FR methyl heptenone FL/FR lemon litsea cubeba oil terpeneless FL/FR spicy piper longum fruit oil FL/FR terpenic alpha- terpinene FL/FR gamma- terpinene FL/FR woody terpinolene FL/FR   Potential Uses: FR citrus FR lemon FR lemongrass FR verbena   Occurrence (nature, food, other):note   not found in nature   Synonyms: (+/-) (E,Z)-5-(2,2- dimethyl cyclopropyl)-3-methyl-2-pentenal (±)-(E+Z)-5-(2,2- dimethyl cyclopropyl)-3-methyl-2-pentenal (+/-)-trans- and cis-5-(2,2- dimethylcyclopropyl)-3-methyl-2-p (+/-) (E,Z)-5-(2,2- dimethylcyclopropyl)-3-methyl-2-pentenal (+/-)-trans- and cis-5-(2,2- dimethylcyclopropyl)-3-methyl-2-pentenal (2E)-5-(2,2- dimethylcyclopropyl)-3-methyl-2-pentenal (E,Z)-5-(2,2- dimethylcyclopropyl)-3-methyl-2-pentenal, (+/-) (E)-5-(2,2- dimethylcyclopropyl)-3-methylpent-2-enal   Articles: PubMed:Analysis of Volatile Oils from Different Processed Products of Zingiber officinale Rhizome by GC-MS

Notes: Used as a food additive [EAFUS]

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