epsilon-dodecalactone
7-hexyloxepan-2-one

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  16429-21-3 7-Hexyloxepan-2-one 97%

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  Lluch Essence S.L.

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  EPSILON-DODECALACTONE

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  Soda Aromatic Co., Ltd.

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  110212060 Epsilon Dodecalactone C-12

Fragrance Demo Formulas Name: 7-hexyloxepan-2-one CAS Number: 16429-21-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 240-483-7 FDA UNII: Y9M87BIY21 Nikkaji Web: J78.704C Beilstein Number: 4389436 CoE Number: 10938 XlogP3: 3.40 (est) Molecular Weight: 198.30574000 Formula: C12 H22 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: JECFA evaluated epsilon-dodecalactone (CASrn as in Register). (R)- or (S)- enantiomer not specified by Register CASrn. 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 JECFA Food Flavoring: 242 epsilon-dodecalactone DG SANTE Food Flavourings: 10.028 dodecano-1,6-lactone FEMA Number: 3610 epsilon-dodecalactone FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 16429-21-3 ; EPSILON-DODECALACTONE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.95000 to 0.95800 @ 25.00 °C. Pounds per Gallon - (est).: 7.905 to 7.972 Refractive Index: 1.45900 to 1.46300 @ 20.00 °C. Boiling Point: 150.00 °C. @ 2.00 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: 248.00 °F. TCC ( 120.00 °C. ) logP (o/w): 3.505 (est) Soluble in:   alcohol   water, slightly   water, 41.54 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: fruity sweet peach fruity celery Odor Description:at 100.00 %. sweet peach fruity celery Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 7-Hexyloxepan-2-one 97% Lluch Essence EPSILON-DODECALACTONE Odor: FRUITY, GREEN Soda Aromatic Epsilon Dodecalactone C-12 Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information: European information : Most important hazard(s): Xi - Irritant R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing.   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: gavage-mouse LD50 [sex: M,F] 7898 mg/kg (Moran et al., 1980) oral-mouse LD50 7898 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. 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 epsilon-dodecalactone usage levels up to:   3.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) 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: 12 Click here to view publication 12   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): - 2.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - 10.00000 condiments / relishes: - - confectionery froastings: - 2.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - 2.00000 granulated sugar: - - gravies: - 5.00000 hard candy: - 5.00000 imitation dairy: - 2.00000 instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - 5.00000 other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - 2.00000 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): 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 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 EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):16429-21-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61835 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 7-hexyloxepan-2-one Chemidplus:0016429213   References:   7-hexyloxepan-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 16429-21-3 Pubchem (cid): 61835 Pubchem (sid): 135017062   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): HMDB38895 FooDB: FDB018358 Export Tariff Code: 2932.29.6000 ChemSpider: View   Potential Blenders and core components note For Odor aldehydic acetyl nonyryl FL/FR iso valeraldehyde FL/FR buttery acetoin FL/FR acetyl butyryl FL/FR acetyl isobutyryl FL/FR acetyl propionyl FL/FR butyl butyryl lactate FL/FR caramellic 2-oxo butyric acid FL/FR strawberry furanone acetate FL/FR cheesy butyric acid FL/FR coconut coconut decanone methyl FR coconut fragrance FR coconut specialty FR delta- decalactone FL/FR delta-2- dodecenolactone FL/FR delta- nonalactone FL/FR gamma- octalactone FL/FR delta- undecalactone FL/FR creamy gamma- butyrolactone FL/FR (Z)- coconut decanone ethyl FR creamy lactone FL/FR 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR para- vanillic acid FL/FR para- vanillyl alcohol FL/FR earthy 1- nonen-3-ol FL/FR fatty (Z)- dairy lactone FL/FR ethyl undecylenate FL/FR 4- methyl octanoic acid FL/FR fermented butyl laevo-lactate FL/FR floral citronellyl formate FL/FR geranyl isobutyrate FL/FR jasmin lactone (IFF) FL/FR jasmin pyranone FL/FR methyl dihydrojasmonate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR fruity acetoin acetate FL/FR allyl 2-ethyl butyrate FL/FR allyl cinnamate FL/FR para- anisyl propionate FL/FR apricot peach fragrance FR butyl 2-decenoate FL/FR iso butyl hexanoate FL/FR butyl isovalerate FL/FR cyclohexyl cinnamate FL/FR (S)-delta- decalactone FL/FR gamma- decalactone FL/FR decen-1-yl cyclopentanone FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR gamma- dodecalactone FL/FR ethyl cyclohexane propionate FL/FR farnesyl acetone FL/FR fleuramone (IFF) FR fruity butanate FR fruity cyclopentanone FR mango peach fragrance FR methyl (Z)-5-octenoate FL/FR octen-1-yl cyclopentanone FL/FR peach cyclopentanone FR peach fragrance FR peach nitrile FR peach pivalate FR peach specialty FR plum crotonate FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR green iso butyl benzyl carbinol FL/FR butyl lactate FL/FR (Z)-4- hepten-1-ol FL/FR (Z)-4- heptenal FL/FR (Z)-4- heptenal diethyl acetal FL/FR herbal benzyl octanoate FL/FR linalyl isovalerate FL/FR mushroom 3- octen-2-ol FL/FR spicy (E)- coconut decanone ethyl FR sulfurous buchu mercaptan FL/FR grapefruit menthane FL/FR sweet vanilla oleoresin bali FL/FR tonka 6- amyl-alpha-pyrone FL/FR mint lactone FL/FR octahydrocoumarin FL/FR tropical delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR vanilla ortho- dimethyl hydroquinone FL/FR ethyl vanillin FL/FR ethyl vanillin isobutyrate FL/FR ethyl vanillin propylene glycol acetal FL/FR vanillin FL/FR vanillyl acetate FL/FR vanillyl isobutyrate FL/FR vanillylidene acetone FL/FR vegetable methional FL/FR waxy allyl nonanoate FL/FR iso amyl laurate FL/FR ethyl palmitate FL/FR methyl laurate FL/FR 2- nonanol FL/FR octyl 2-methyl butyrate FL/FR octyl isobutyrate FL/FR delta- tetradecalactone FL/FR undecanoic acid FL/FR woody laitone FR For Flavor No flavor group found for these allyl cinnamate FL/FR allyl cyclohexyl valerate FL allyl methyl trisulfide FL para- anisyl propionate FL/FR benzyl octanoate FL/FR (S)-delta- decalactone FL/FR 6- decenoic acid FL ortho- dimethyl hydroquinone FL/FR delta-2- dodecenolactone FL/FR ethyl cyclohexane propionate FL/FR farnesyl acetone FL/FR jasmin lactone (IFF) FL/FR (R)- tonka furanone FL aldehydic aldehydic acetyl nonyryl FL/FR amber iso butyl benzyl carbinol FL/FR balsamic vanillylidene acetone FL/FR brown 2-oxo butyric acid FL/FR buttery butyl laevo-lactate FL/FR diacetyl FL cabbage methyl 2-thiofuroate FL caramellic strawberry furanone acetate FL/FR coconut delta- decalactone FL/FR (R)- massoia lactone FL 6- methyl coumarin FL octahydrocoumarin FL/FR creamy acetoin FL/FR acetyl butyryl FL/FR acetyl isobutyryl FL/FR 6- amyl-alpha-pyrone FL/FR butyl butyryl lactate FL/FR creamy lactone FL/FR delta- dodecalactone FL/FR glyceryl 5-hydroxydecanoate FL/FR glyceryl 5-hydroxydodecanoate FL/FR jasmin pyranone FL/FR massoia lactone FL mint lactone FL/FR delta- nonalactone FL/FR octyl isobutyrate FL/FR delta- undecalactone FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR para- vanillic acid FL/FR para- vanillyl alcohol FL/FR dairy methyl (Z)-5-octenoate FL/FR earthy 1- nonen-3-ol FL/FR ethereal allyl 2-ethyl butyrate FL/FR fatty iso amyl laurate FL/FR (Z)- dairy lactone FL/FR ethyl undecylenate FL/FR 4- methyl octanoic acid FL/FR 2,4- octadien-1-ol FL floral geranyl isobutyrate FL/FR methyl dihydrojasmonate FL/FR fruity acetoin acetate FL/FR acetyl isovaleryl FL butyl 2-decenoate FL/FR iso butyl hexanoate FL/FR butyl isovalerate FL/FR citronellyl formate FL/FR cyclohexyl cinnamate FL/FR gamma- decalactone FL/FR decen-1-yl cyclopentanone FL/FR alpha,alpha- dimethyl benzyl isobutyrate FL/FR gamma- dodecalactone FL/FR 2- furyl pentyl ketone FL 3- heptyl dihydro-5-methyl-2(3H)-furanone FL/FR linalyl isovalerate FL/FR octen-1-yl cyclopentanone FL/FR phenethyl isovalerate FL/FR iso valeraldehyde FL/FR green butyl lactate FL/FR heptanal 2,3-butane diol acetal FL (Z)-4- hepten-1-ol FL/FR (Z)-4- heptenal FL/FR (Z)-4- heptenal diethyl acetal FL/FR herbal massoia bark oil FL honey phenethyl isobutyrate FL/FR lactonic gamma- octalactone FL/FR milky gamma- butyrolactone FL/FR mushroom 3- octen-2-ol FL/FR sour butyric acid FL/FR spicy benzylidene acetone FL sulfurous buchu mercaptan FL/FR grapefruit menthane FL/FR sweet vanilla oleoresin bali FL/FR toasted acetyl propionyl FL/FR tomato methional FL/FR vanilla ethyl vanillin FL/FR ethyl vanillin isobutyrate FL/FR ethyl vanillin propylene glycol acetal FL/FR vanillin FL/FR vanillyl acetate FL/FR vanillyl isobutyrate FL/FR waxy allyl nonanoate FL/FR ethyl palmitate FL/FR furfuryl octanoate FL methyl laurate FL/FR 2- nonanol FL/FR octyl 2-furoate FL octyl 2-methyl butyrate FL/FR delta- tetradecalactone FL/FR undecanoic acid FL/FR   Potential Uses: FR fruit FL fruit tropical fruit FR peach FL tropical   Occurrence (nature, food, other):note   not found in nature   Synonyms:   aldehyde C-123 .epsilon.- dodecalactone   dodecano-1,6-lactone   dodecanoic acid, 6-hydroxy-, e-lactone 7- hexyl oxepan-2-one 7- hexyl-2-oxepanone 6- hexylhexanolide 7- hexyloxepan-2-one 6- hydroxydodecanoic acid epsilon-lactone epsilon- hydroxydodecanoic acid lactone 2- oxepanone, 7-hexyl-   Articles:   None found yet. Try the PubMed Search.

Notes: Food flavouring ingredient for candies, dairy products and soft drinks