neroli ketone
nerone (Givaudan)

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  13-11100 1-(P-MENTHEN-6-YL)-1-PROPANONE

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  500259 Nerone

Name: 1-(2-methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one CAS Number: 31375-17-4 3D/inchi ECHA EINECS - REACH Pre-Reg: 250-600-3 FDA UNII: IVC0R5EYXU Nikkaji Web: J69.881D Beilstein Number: 2327817 MDL: MFCD01117656 XlogP3-AA: 3.10 (est) Molecular Weight: 194.31754000 Formula: C13 H22 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category: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   Physical Properties: Appearance: pale yellow to yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.91000 to 0.91500 @ 25.00 °C. Pounds per Gallon - (est).: 7.572 to 7.614 Refractive Index: 1.46500 to 1.75000 @ 20.00 °C. Boiling Point: 262.00 to 263.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.010000 mmHg @ 25.00 °C. (est) Flash Point: > 212.00 °F. TCC ( > 100.00 °C. ) logP (o/w): 3.730 (est) Soluble in:   alcohol   water, 12.49 mg/L @ 25 °C (est) Insoluble in:   water Stability:   soap & detergent   Organoleptic Properties: Odor Type: citrus Odor Strength:medium Substantivity:31 hour(s) at 100.00 % cortex leafy green woody herbal phenolic floral Odor Description:at 100.00 %. cortex leafy green woody herbal phenolic floral Luebke, William tgsc, (1997) Odor sample from: Givaudan Corporation Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Moellhausen NERONE Penta International 1-(P-MENTHEN-6-YL)-1-PROPANONE Reincke & Fichtner 1-(p-Menthen-6-yl)-1-propanone Vigon International Nerone Odor: CITRUS, GREEN, LEAFY, NATURAL   Safety Information: European information : Most important hazard(s): Xi - Irritant R 36/38 - Irritating to skin and eyes. 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 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: skin-rabbit LD50 10000 ul/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 853, 1979. Inhalation Toxicity: Not determined   Safety in Use Information: Category: 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 neroli ketone usage levels up to:   4.0000 % in the fragrance concentrate.   Recommendation for neroli ketone flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):31375-17-4 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :35785 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 1-(2-methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one Chemidplus:0031375174   References:   1-(2-methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 31375-17-4 Pubchem (cid): 35785 Pubchem (sid): 134998390   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 CHEMBL: View HMDB (The Human Metabolome Database): Search ChemSpider: View Wikipedia: View   Potential Blenders and core components note For Odor No odor group found for these octanal propylene glycol acetal FL/FR amber amber angelica archangelica root oil CO2 extract FL/FR animal 1-oxa spiro-4,7-dodecane FR anise star anise seed oil china FL/FR balsamic betula pubescens bud oil FL/FR dextro,laevo-iso borneol FL/FR iso bornyl acetate FL/FR iso bornyl propionate FL/FR cedar forest fragrance FR conifer acetate FR fir balsam absolute FR fir balsam concrete FR propyl cinnamate FL/FR spruce needle absolute FL/FR tetrahydrofurfuryl cinnamate FL/FR valerian rhizome absolute FL/FR camphoreous dextro- camphor FL/FR citrus (Z)-4- decenal diethyl acetal FR dodecane nitrile FR lime oil fractions FR alpha- methylene citronellal FR octanal glycol acetal FR tangerine nitrile FR creamy veratraldehyde FL/FR dairy methyl butyl phenyl acetate FL/FR earthy 2- octanone FL/FR fatty (E)-2- octenal FL/FR floral allyl anthranilate FL/FR iso amyl salicylate FL/FR anisyl propanal / methyl anthranilate schiff's base FR bigarade oxide FR dimethyl benzyl carbinol FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR geranium pyran FR geranium specialty FR glycoacetal FR karo karounde absolute FR lavender oil france FL/FR lavender oil greece FL/FR linalool FL/FR melaleuca ericifolia leaf oil FR nonisyl propionate FR ocean propanal / methyl anthranilate schiff's base FR beta- ocimene FL/FR orange leaf absolute FL/FR bitter orangeflower absolute morocco FL/FR petitgrain bigarade oil FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR prenyl salicylate FL/FR iso propyl phenyl acetate FL/FR rose absolute (rosa damascena) bulgaria FL/FR laevo- rose oxide FL/FR sambucus nigra flower oil CO2 extract FR 5- tricyclodecenyl acetate FR fruity apple ketal FL/FR 3- benzyl-4-heptanone FL/FR cyclohexyl crotonate FR 1,4- dibutyl-6,8-dioxabicyclo(3.2.1)octane FR 1,4- diisopropyl-6,8-dioxabicyclo(3.2.1)octane FR grapefruit acetal FR green acetate FR 2- hexen-1-ol FL/FR (E)-2- hexen-1-ol FL/FR green acetaldehyde butyl phenethyl acetal FL/FR acetaldehyde di-(Z)-3-hexen-1-yl acetal FL/FR acetaldehyde dipropyl acetal FL/FR acetaldehyde ethyl phenethyl acetal FL/FR bergoxane FR 2-iso butyl thiazole FL/FR citral / diisotridecyl acetal FR cumin acetaldehyde FL/FR 3,5,6-neo cyclocitral FR iso cyclocitral (IFF) FL/FR dicyclopentadiene propionate FR alpha- elemol FL/FR fresh nitrile FR galbanum oil FL/FR galbanum oil terpeneless FL/FR galbanum oleoresin FL/FR galbanum resinoid FL/FR geranium absolute FL/FR green specialty FR 1- heptanol FL/FR heptyl cinnamate FL/FR (Z)-2- hexen-1-ol FL/FR 3- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl benzoate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (E)-2- hexen-1-yl salicylate FR 3- hexenal FL/FR hexoxyacetaldehyde dimethyl acetal FR alpha- hexyl cinnamaldehyde dimethyl acetal FR hexyl heptanoate FL/FR 3,5- ivy carbaldehyde FL/FR 2,4- ivy carbaldehyde FL/FR ivy carbaldehyde FL/FR 3,6- ivy carbaldehyde FL/FR 2,4- ivy carbaldehyde / methyl anthranilate schiff's base FR ivy dioxolane FR lawsonia inermis leaf oil CO2 extract FR (Z)- leaf acetal FL/FR leafy acetal FL/FR leafy oxime FR methyl heptine carbonate FL/FR para- methyl hydratropaldehyde FL/FR narcissus flower absolute FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR octanal dimethyl acetal FL/FR (Z)-5- octen-1-yl propionate FL/FR phenethyl acetal FR phenoxyacetaldehyde 50% in benzyl alcohol FR 3- phenyl propionaldehyde FL/FR iso propyl phenyl propionaldehyde FR iso propyl quinoline FR rosa damascena leaf absolute FR rosacyanthin FR rose leaf absolute (rosa centifolia) FL/FR seaweed absolute (fucus vesiculosus et serratus) FL/FR styralyl acetate FL/FR terpinyl propionate FL/FR triplal / ethyl anthranilate schiff's base FR valerian rhizome oil CO2 extract china FL/FR violet leaf oil (viola odorata) FL/FR hay tobacco leaf absolute FL/FR herbal ajowan seed oil FL/FR 1- allyl-2,2,7,7-tetramethyl cycloheptanol FR angelica archangelica seed extract FL/FR artemisia vestita wall. leaf oil FR sweet basil absolute FL/FR bornyl 2-methyl butyrate FL/FR bornyl butyrate FL/FR bornyl salicylate FR beta- bourbonene FL/FR 3- butyl phthalide FL/FR alpha- cadinol FL/FR calamintha clinopodium oil FR (+)-alpha- campholenic aldehyde FL/FR canarium luzonicum oil FL/FR cardamom liquid resin FR coriander oleoresin FL/FR iso dihydrolavandulal FL/FR dill seed oil FL/FR dill seed oil CO2 extract FL/FR herbal heptane FR herbal undecanone FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR immortelle flower oil FL/FR lavandin water absolute FL/FR lovage tincture FL/FR 2- methyl butyl salicylate FL/FR nonisyl formate FR 3- octyl acetate FL/FR curled parsley leaf oil FL/FR alpha- pinene FL/FR pinocarveol FL/FR rosemary oleoresin FL/FR safranal FL/FR tea leaf absolute FL/FR thyme oil (thymus zygis gracillis) spain FL/FR red thyme oil india FL/FR red thyme oil spain FL/FR thyme oil wild or creeping FL/FR thymol FL/FR tricyclo(5.2.1.02,6)dec-3-enyl acetate FR tricyclodecenyl propionate FR valerian rhizome oil FL/FR valerian rhizome oil china FL/FR melon (Z)-6- nonenal FL/FR minty pennyroyal oil FL/FR iso pulegol FL/FR (-)-iso pulegol FL/FR iso pulegyl formate FL/FR 2,4,4,6- tetramethyl cyclohexa-2,5-diene-1-one FR mossy oakmoss absolute FL/FR oakmoss concrete FR musk angelica root absolute FL/FR orris iso eugenyl formate FL/FR para-iso propyl acetophenone FL/FR pine pine oil 85 FR spicy bayberry fragrance FR cinnamon acrolein FL/FR clove leaf oil FL/FR black currant bud absolute FL/FR iso cyclogeraniol (IFF) FR 2,5- dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate FR ginger oleoresin africa FL/FR ginger root absolute FL/FR ginger root oil cochin FL/FR myrcene FR 2- octanol FL/FR black pepper absolute FL/FR white pepper oil FL/FR black pepper oil FL/FR black pepper oil CO2 extract FL/FR black pepper oleoresin FL/FR 4-iso propyl-2-cyclohexenone FL/FR sulfurous 3-( methyl thio) hexanol FL/FR terpenic juniper branch oil FR alpha- phellandrene FL/FR thujonic cedarleaf oil western red FR common tansy flower oil argentina FL/FR common tansy leaf oil dutch FR woody ketone FL/FR waxy allyl nonanoate FL/FR woody angelica archangelica root extract FL/FR angelica archangelica root tincture FL/FR angelica archangelica root water FL/FR bruyere root absolute FR cadinene FL/FR (+)- camphene FL/FR camphene FL/FR cypress essence FR dalbergia sissoo leaf oil FR dihydro-alpha-terpinyl acetate FR alpha- farnesene FL/FR alpha- farnesene isomer FL/FR fougere woody fragrance FR humulus lupulus extract FL/FR laitone FR manevoro oil FR marine formate FR melaleuca bracteata leaf oil FR moss naphthaleneol FR polylimonene FL/FR santol pentenol FR tetrahydromugol FR (±)- tetrahydronootkatone FL/FR xanthoxylum alatum roxb. oil FR For Flavor No flavor group found for these acetaldehyde di-(Z)-3-hexen-1-yl acetal FL/FR allyl anthranilate FL/FR angelica archangelica root extract FL/FR angelica archangelica root oil CO2 extract FL/FR angelica archangelica root tincture FL/FR angelica archangelica root water FL/FR betula pubescens bud oil FL/FR bornyl 2-methyl butyrate FL/FR bornyl butyrate FL/FR beta- bourbonene FL/FR 3- butyl phthalide FL/FR delta- cadinene FL alpha- cadinol FL/FR (+)- camphene FL/FR alpha- elemol FL/FR iso eugenyl formate FL/FR heptyl cinnamate FL/FR 3- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR 2- hexenal FL (E)-2- hexenal FL hexyl heptanoate FL/FR ivy carbaldehyde FL/FR 3,5- ivy carbaldehyde FL/FR 2- methyl butyl salicylate FL/FR 3- methyl-3-pentanol FL octanal propylene glycol acetal FL/FR polylimonene FL/FR 4-iso propyl-2-cyclohexenone FL/FR iso pulegyl formate FL/FR seaweed absolute (fucus vesiculosus et serratus) FL/FR tetrahydrofurfuryl cinnamate FL/FR (±)- tetrahydronootkatone FL/FR woody ketone FL/FR anise anise star anise seed oil china FL/FR aromatic leafy acetal FL/FR balsamic iso bornyl propionate FL/FR spruce needle absolute FL/FR camphoreous dextro,laevo-iso borneol FL/FR camphene FL/FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR pinocarveol FL/FR citrus linalool FL/FR petitgrain bigarade oil FL/FR creamy veratraldehyde FL/FR dairy methyl butyl phenyl acetate FL/FR 2- octanone FL/FR fatty (Z)-3- hexen-1-yl benzoate FL/FR (E)-2- octenal FL/FR floral orange leaf absolute FL/FR bitter orangeflower absolute morocco FL/FR rose absolute (rosa damascena) bulgaria FL/FR laevo- rose oxide FL/FR fruity apple ketal FL/FR 3- benzyl-4-heptanone FL/FR 2- hexen-1-ol FL/FR propyl cinnamate FL/FR styralyl acetate FL/FR valerian rhizome absolute FL/FR valerian rhizome oil FL/FR valerian rhizome oil china FL/FR valerian rhizome oil CO2 extract china FL/FR grassy tobacco leaf absolute FL/FR green acetaldehyde butyl phenethyl acetal FL/FR acetaldehyde dipropyl acetal FL/FR acetaldehyde ethyl phenethyl acetal FL/FR iso amyl salicylate FL/FR 2-iso butyl thiazole FL/FR (+)-alpha- campholenic aldehyde FL/FR canarium luzonicum oil FL/FR cumin acetaldehyde FL/FR iso cyclocitral (IFF) FL/FR alpha- farnesene FL/FR alpha- farnesene isomer FL/FR galbanum oil FL/FR galbanum oil terpeneless FL/FR galbanum oleoresin FL/FR galbanum resinoid FL/FR geranium absolute FL/FR (E)-2- hexen-1-ol FL/FR (Z)-2- hexen-1-ol FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR 3- hexenal FL/FR 2,4- ivy carbaldehyde FL/FR 3,6- ivy carbaldehyde FL/FR (Z)- leaf acetal FL/FR methyl heptine carbonate FL/FR para- methyl hydratropaldehyde FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR (Z)-6- nonenal FL/FR oakmoss absolute FL/FR beta- ocimene FL/FR octanal dimethyl acetal FL/FR (Z)-5- octen-1-yl propionate FL/FR 3- octyl acetate FL/FR phenyl acetaldehyde diisobutyl acetal FL/FR 3- phenyl propionaldehyde FL/FR rose leaf absolute (rosa centifolia) FL/FR terpinyl propionate FL/FR violet leaf oil (viola odorata) FL/FR herbal ajowan seed oil FL/FR angelica archangelica seed extract FL/FR sweet basil absolute FL/FR coriander oleoresin FL/FR iso dihydrolavandulal FL/FR dill seed oil FL/FR dill seed oil CO2 extract FL/FR immortelle flower oil FL/FR lavandin water absolute FL/FR lavender oil france FL/FR lavender oil greece FL/FR lovage tincture FL/FR curled parsley leaf oil FL/FR prenyl salicylate FL/FR rosemary oleoresin FL/FR thyme oil (thymus zygis gracillis) spain FL/FR red thyme oil india FL/FR red thyme oil spain FL/FR thyme oil wild or creeping FL/FR honey iso propyl phenyl acetate FL/FR medicinal dextro- camphor FL/FR dimethyl benzyl carbinol FL/FR metallic 3-( methyl thio) hexanol FL/FR minty pennyroyal oil FL/FR iso pulegol FL/FR (-)-iso pulegol FL/FR musk angelica root absolute FL/FR nutty peanut oxazole FL phenolic thymol FL/FR solvent 1- heptanol FL/FR spicy cinnamon acrolein FL/FR clove leaf oil FL/FR black currant bud absolute FL/FR ginger oleoresin africa FL/FR ginger root absolute FL/FR ginger root oil cochin FL/FR 2- octanol FL/FR black pepper absolute FL/FR white pepper oil FL/FR black pepper oil FL/FR black pepper oil CO2 extract FL/FR black pepper oleoresin FL/FR para-iso propyl acetophenone FL/FR tea tea leaf absolute FL/FR terpenic alpha- phellandrene FL/FR thujonic common tansy flower oil argentina FL/FR waxy allyl nonanoate FL/FR woody iso bornyl acetate FL/FR cadinene FL/FR humulus lupulus extract FL/FR alpha- pinene FL/FR safranal FL/FR   Potential Uses: FR bergamot FR citrus FR cologne FR floral FR green FR hay new mown hay   leaf FR mimosa   natural FR neroli FR petitgrain FR woody   Occurrence (nature, food, other):note   not found in nature   Synonyms: 1-(p- menth-1-en-6-yl) propan-1-one 1-(para- menth-1-en-6-yl) propan-1-one p- menthen-6-yl propanone para- menthen-6-yl propanone 1-1-p- menthen-6-yl-1-propanone 1-(p- menthen-6-yl)-1-propanone 1-(p- menthen-6(2)-yl)-1-propanone 1-(para- menthen-6(2)-yl)-1-propanone 1-(p- menthene-6-yl)-1-propanone 1-(para- menthene-6-yl)-1-propanone   menthenyl ketone 1-(2- methyl-5-isopropyl-2-cyclohexenyl)-1-propanone 1-(2- methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one   neroli ketone   nerone (Givaudan)   nerone NP (Givaudan) 1- propanone, 1-[2-methyl-5- (1-methylethyl)-2-cyclohexen-1-yl]- 1- propanone, 1-p-menth-6-en-2-yl- 2- propionyl-6-menthene 6- propionyl-p-menth-1-ene 6- propionyl-para-menth-1-ene 1-(5-iso propyl-2-methyl-cyclohex-2-enyl)-propan-1-one   Articles: PubMed:[Preliminary analysis of bitter substances in spica of Prunella vulgaris]. PubMed:Fragrance material review on 1-(para-menthen-6-yl)-1-propanone.

Notes: None found