3-octanon-1-ol
3-oxo-1-octanol

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  CODE103336 CODE103336
  Product(s):
  65405-68-7 3-(hydroxymethyl)heptan-2-one

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Name: 3-(hydroxymethyl)heptan-2-one CAS Number: 65405-68-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 265-739-5 FDA UNII: NWU4UN7SMJ Nikkaji Web: J307.394G CoE Number: 592 XlogP3-AA: 1.20 (est) Molecular Weight: 144.21392000 Formula: C8 H16 O2 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 JECFA Food Flavoring: 604 3-(hydroxymethyl)-2-heptanone FEMA Number: 2804 3-oxo-1-octanol FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 65405-68-7 ; 3-(HYDROXYMETHYL)-2-HEPTANONE FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: colorless clear liquid (est) Assay: 90.00 to 100.00 Additional Assay Information: 1-hydroxy-3-octanone: 5% - 10% Food Chemicals Codex Listed: No Specific Gravity: 0.94500 to 0.94900 @ 25.00 °C. Pounds per Gallon - (est).: 7.863 to 7.897 Refractive Index: 1.44400 to 1.44700 @ 20.00 °C. Boiling Point: 94.00 to 96.00 °C. @ 9.00 mm Hg Vapor Pressure: 0.016000 mmHg @ 25.00 °C. (est) Flash Point: 196.00 °F. TCC ( 91.11 °C. ) logP (o/w): 1.157 (est) Soluble in:   alcohol   water, very slightly   water, 6.8e+004 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: herbal fruity herbal spicy Odor Description:at 1.00 % in dipropylene glycol. fruity herbal spicy Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-(hydroxymethyl)heptan-2-one Parchem 3-octanon-1-ol Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   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: 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 3-octanon-1-ol usage levels up to:   0.0500 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 7.00 (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: 3. Update in publication number(s): 13 Click here to view publication 3   average usual ppm average maximum ppm baked goods: 0.60000 0.80000 beverages(nonalcoholic): - 0.20000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - 1.00000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 0.30000 fruit ices: - 0.30000 gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: - 0.80000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - 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): 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):65405-68-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5362561 National Institute of Allergy and Infectious Diseases:Data 3-(hydroxymethyl)heptan-2-one Chemidplus:0065405687   References:   3-(hydroxymethyl)heptan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 5362561 Pubchem (sid): 135267593   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): HMDB36165 FooDB: FDB015019 ChemSpider: View FAO: 3-(Hydroxymethyl)-2-heptanone   Potential Blenders and core components note For Odor No odor group found for these arnica montana flower extract FL/FR para- menth-1-en-9-al FL/FR aldehydic aldehydic agrumen nitrile FR anise sweet fennel seed oil FL/FR anisic amyl furoate FL/FR balsamic ethyl cinnamate FL/FR tolu balsam oil FL/FR caramellic diethyl malate FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR helichrysum italicum flower absolute FL/FR cheesy 2- heptanone FL/FR earthy 3- octen-2-one FL/FR ethereal ethyl 4-pentenoate FL/FR fatty perillaldehyde propylene glycol acetal FL/FR floral aglaia odorata absolute FR iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR benzyl acetone FL/FR benzyl formate FL/FR butyl tiglate FR cassie absolute replacer FL/FR cassis cyclohexene FR coriander oil replacer FR coriander seed oil FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl butyrate FL/FR geranium oil africa FL/FR geranyl tiglate FL/FR 2- hexylidene cyclopentanone FL/FR jasmin absolute egypt (from concrete) FL/FR (Z)- jasmone FL/FR lavender absolute replacer FR magnolia flower oil CO2 extract FL/FR menthadienyl formate FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR muguet specialty FR nonan-3-yl acetate FL/FR 3- nonanone FL/FR rhodinyl isobutyrate FL/FR rose carboxylate FR (Z)- rose oxide FL/FR rose undecene FR terpinyl isobutyrate FL/FR fruity para- anisyl methyl ketone FL/FR para- anisyl propionate FL/FR balsam specialty FR 1,4- diethyl-6,8-dioxabicyclo(3.2.1)octane FR green acetate FR herbanate (Givaudan) FR para- menth-1-ene-9-ol FL/FR 2- methyl butyl isovalerate FL/FR perillyl acetate FL/FR green holy basil leaf oil FL/FR iso butyl heptanoate FL/FR butyl heptanoate FL/FR iso butyl methyl ketone FL/FR sec- butyl-3-methyl but-2-ene thioate FL/FR carrot leaf oil (daucus carota ssp.maximus) FR black currant bud absolute replacer FL/FR dicyclopentadiene propionate FR herbal cyclohexane FR hexyl tiglate FL/FR dextro- limonene oxide FL/FR octanal diethyl acetal FL/FR privet dioxane FR herbal agate fragrance FR iso amyl heptanoate FL/FR artemisia ludoviciana oil FR buchu mercaptan acetate FL/FR butyl levulinate FL/FR carrot seed oil (daucus carota ssp. maximus (desf.) ball) FR carum carvi fruit oil FL/FR carvacryl methyl ether FL/FR celery ketone FL/FR chamomile propionate FR chamomile valerate FR coriander seed absolute FL/FR coriander seed concrete FR cuminyl acetate FL/FR dehydroxylinalool oxide FL/FR dimethyl benzyl carbinyl crotonate FL/FR elder flower absolute (sambucus canadensis and s. nigra) FR herbal acetal FR lavender absolute bulgaria FL/FR lavender absolute france FL/FR linalyl formate FL/FR linalyl octanoate FL/FR marigold absolute (tagetes patula) FR 1-para- menthen-9-yl acetate FL/FR methyl hexyl ether FL/FR T- muurolol FL/FR (1S,5R)- myrtenyl acetate FL/FR myrtle oil FL/FR 3- nonanol FL/FR nonisyl acetate FR oregano oil replacer FR oregano specialty FR origanum oil FL/FR curled parsley leaf oil FL/FR curled parsley seed oil FL/FR rue oil FL/FR rue oil cuba FL/FR saffron indenone FL/FR safranal FL/FR tagete oil CO2 extract FL/FR tagete oil egypt FL/FR tagete oil south africa FL/FR tagete oil turkey FL/FR tagete oil zambia FL/FR thymyl methyl ether FL/FR tricyclodecenyl isobutyrate FR tricyclodecenyl propionate FR viridiflorol FL/FR minty betula lenta bark oil america FL/FR peppermint oil special fractions FL/FR orris orris capronate FL/FR spicy iso butyl (E,E)-2,4-decadienamide FL/FR carrot weed oil FL/FR carvacryl ethyl ether FL/FR cinnamaldehyde dimethyl acetal FL/FR cinnamyl propionate FL/FR (-)- cubenol FL/FR cuminyl alcohol FL/FR black currant bud absolute FL/FR ginger oleoresin africa FL/FR ginger root absolute FL/FR hollyberry fragrance FR maja fragrance FR sweet marjoram oil replacer FR ocimum gratissimum herb oil india FR origanum majorana oil FL/FR origanum majorana oil CO2 extract FL/FR origanum majorana oil cuba FL/FR origanum majorana oil morocco FL/FR outdoors specialty FR white pepper oil FL/FR black pepper oil CO2 extract FL/FR black pepper oleoresin FL/FR (E)- propyl 2-furan acrylate FL/FR saffron oil CO2 extract FL/FR woody camphor tree wood oil FR cedarwood oil himalaya FR cistus twig/leaf oil FL/FR 2- decalinyl acetate FR patchouli absolute FR sandalwood oil FL/FR sandalwood oil replacer FR (±)- tetrahydronootkatone FL/FR For Flavor No flavor group found for these iso amyl angelate FL/FR amyl furoate FL/FR para- anisyl propionate FL/FR arnica montana flower extract FL/FR holy basil leaf oil FL/FR benzyl crotonate FL benzyl methyl tiglate FL iso butyl (E,E)-2,4-decadienamide FL/FR iso butyl heptanoate FL/FR sec- butyl-3-methyl but-2-ene thioate FL/FR carvacryl ethyl ether FL/FR carvacryl methyl ether FL/FR cassie absolute replacer FL/FR cuminyl acetate FL/FR diethyl malate FL/FR (±)-(cis+trans)-1,2- dihydroperillaldehyde FL 2,4- dimethyl anisole FL dimethyl benzyl carbinyl crotonate FL/FR ethyl 4-pentenoate FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR fleabane oil (erigeron canadensis) FL 2- heptyl cyclopropane carboxylic acid FL 2- hexylidene cyclopentanone FL/FR magnolia flower oil CO2 extract FL/FR para- menth-1-en-9-al FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR T- muurolol FL/FR nonan-3-yl acetate FL/FR 3- nonanol FL/FR perillaldehyde propylene glycol acetal FL/FR terpinyl isobutyrate FL/FR (±)- tetrahydronootkatone FL/FR viridiflorol FL/FR althaea officinalis root tincture FL hexyl 3-mercaptobutanoate FL dextro- limonene oxide FL/FR acidic acidic (E)-2- hexenoic acid FL anise sweet fennel seed oil FL/FR balsamic ethyl cinnamate FL/FR tolu balsam oil FL/FR buttery bovolide FL caramellic 5- ethyl-3,4,5,6-tetramethyl cyclohexen-2-one FL cheesy 2- heptanone FL/FR creamy althaea officinalis root extract FL massoia lactone FL 3- octen-2-one FL/FR ethereal methyl hexyl ether FL/FR floral cinnamyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl butyrate FL/FR geranium oil africa FL/FR geranyl tiglate FL/FR jasmin absolute egypt (from concrete) FL/FR rhodinyl isobutyrate FL/FR fruity benzyl acetone FL/FR benzyl formate FL/FR buchu mercaptan acetate FL/FR butyl heptanoate FL/FR black currant bud absolute replacer FL/FR linalyl octanoate FL/FR 1-para- menthen-9-yl acetate FL/FR 2- methyl butyl isovalerate FL/FR (E)- propyl 2-furan acrylate FL/FR tagete oil CO2 extract FL/FR tagete oil south africa FL/FR tagete oil turkey FL/FR tagete oil zambia FL/FR green iso butyl methyl ketone FL/FR carrot weed oil FL/FR celery distillates FL celery ketone FL/FR helichrysum italicum flower absolute FL/FR hexyl tiglate FL/FR 3- nonanone FL/FR octanal diethyl acetal FL/FR perillyl acetate FL/FR (Z)- rose oxide FL/FR herbal iso amyl heptanoate FL/FR butyl levulinate FL/FR carum carvi fruit oil FL/FR coriander seed absolute FL/FR coriander seed oil FL/FR lavender absolute bulgaria FL/FR lavender absolute france FL/FR linalyl formate FL/FR para- menth-1-ene-9-ol FL/FR oregano oleoresin FL origanum majorana oil FL/FR origanum majorana oil CO2 extract FL/FR origanum oil FL/FR curled parsley leaf oil FL/FR curled parsley oleoresin FL curled parsley seed oil FL/FR rue oil FL/FR rue oil cuba FL/FR saffron indenone FL/FR tagete oil egypt FL/FR minty betula lenta bark oil america FL/FR peppermint oil special fractions FL/FR musty thymyl methyl ether FL/FR orris orris capronate FL/FR spicy para- anisyl methyl ketone FL/FR sweet bay oleoresin FL cinnamaldehyde dimethyl acetal FL/FR (-)- cubenol FL/FR cuminyl alcohol FL/FR black currant bud absolute FL/FR ginger oleoresin africa FL/FR ginger root absolute FL/FR myrtle oil FL/FR origanum majorana oil cuba FL/FR origanum majorana oil morocco FL/FR white pepper oil FL/FR black pepper oil CO2 extract FL/FR black pepper oleoresin FL/FR saffron oil CO2 extract FL/FR tropical alpha- amyl cinnamaldehyde FL/FR woody cistus twig/leaf oil FL/FR dehydroxylinalool oxide FL/FR (Z)- jasmone FL/FR (1S,5R)- myrtenyl acetate FL/FR safranal FL/FR sandalwood oil FL/FR   Potential Uses: FR arnica flower FL/FR caraway seed FL/FR coriander FL/FR currant bud absolute replacer FR ginger white ginger FR herbal FR hollyberry FL/FR marigold FL/FR marjoram FR myrtle oil replacer FL/FR rue FR saffron FR wormwood oil replacer   Occurrence (nature, food, other):note   not found in nature   Synonyms: 2- acetyl-1-hexanol   caproyl ethanol 2- heptanone, 3-(hydroxymethyl)-   hexanoyl ethanol 3- hydroxymethyl-2-heptanone 3-( hydroxymethyl) heptan-2-one 3-( hydroxymethyl)-2-heptanone 3-( hydroxymethyl)heptan-2-one   ketone alcohol   methylol methyl amyl ketone   octan-3-on-1-ol 3-oxo-1- octanol   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]