3,5,6-neocyclocitral
3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-

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  14-11050 NEOCYCLOCITRAL

Name: 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde CAS Number: 67634-07-5 3D/inchi ECHA EINECS - REACH Pre-Reg: 266-810-3 FDA UNII: 38HRF2I56T Nikkaji Web: J68.879G XlogP3-AA: 1.90 (est) Molecular Weight: 152.23672000 Formula: C10 H16 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: colorless clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.85800 to 0.86300 @ 25.00 °C. Pounds per Gallon - (est).: 7.139 to 7.181 Refractive Index: 1.43100 to 1.43600 @ 20.00 °C. Boiling Point: 201.00 to 202.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.291000 mmHg @ 25.00 °C. (est) Flash Point: 152.00 °F. TCC ( 66.67 °C. ) logP (o/w): 3.034 (est) Soluble in:   alcohol   water, 119.3 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: green Odor Strength:medium Substantivity:4 hour(s) at 100.00 % fresh green leafy clean herbal chrysanthemum Odor Description:at 100.00 %. fresh green leafy clean herbal chrysanthemum Luebke, William tgsc, (1986) Odor sample from: Harrmann & Reimer Corporation Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Penta International NEOCYCLOCITRAL   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 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: Not determined Dermal Toxicity: Not determined 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 IFRA Critical Effect: Dermal sensitization   View the IFRA Standard View IFRA Standards Library for complete information. Please review Amendment 49 IFRA documentation for complete information. IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): Category 1: Products applied to the lips 0.54 % Category 2: Products applied to the axillae 0.16 % Category 3: Products applied to the face/body using fingertips 3.20 % Category 4: Products related to fine fragrance 3.00 %   Category 5: Products applied to the face and body using the hands (palms), primarily leave-on Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on 0.76 % Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on 0.76 % Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on 0.76 % Category 5D: Baby Creams, baby Oils and baby talc 0.76 % Category 6: Products with oral and lip exposure 1.80 %   Category 7: Products applied to the hair with some hand contact Category 7A: Rinse-off products applied to the hair with some hand contact 6.10 % Category 7B: Leave-on products applied to the hair with some hand contact 6.10 % Category 8: Products with significant anogenital exposure 0.32 % Category 9: Products with body and hand exposure, primarily rinse off 5.90 %   Category 10: Household care products with mostly hand contact Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) 21.00 % Category 10B: Household aerosol/spray products 21.00 %   Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure 12.00 % Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure 12.00 % Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin No Restriction   Notes: IFRA FLAVOR REQUIREMENTS: Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.   Recommendation for 3,5,6-neocyclocitral 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):67634-07-5 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :106735 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde Chemidplus:0067634075   References:   3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 67634-07-5 Pubchem (cid): 106735 Pubchem (sid): 135064595   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: 2912.29.60 ChemSpider: View   Potential Blenders and core components note For Odor aldehydic adoxal (Givaudan) FL/FR citrus carbaldehyde FR decanal (aldehyde C-10) FL/FR 9- decenal FL/FR 2- methyl undecanal (aldehyde C-12 mna) FL/FR nonanal (aldehyde C-9) FL/FR octanal (aldehyde C-8) FL/FR 10- undecenal (aldehyde C-11 undecylenic) FL/FR amber angelica root oil FL/FR balsamic 2- acetyl furan FL/FR iso amyl benzoate FL/FR benzyl benzoate FL/FR benzyl salicylate FL/FR laevo- bornyl acetate FL/FR iso bornyl acetate FL/FR cinnamyl alcohol FL/FR clover nitrile FR ethyl cinnamate FL/FR fir needle oil siberia FL/FR citrus bergamot oil bergaptene reduced italy FL/FR citral FL/FR (S)-(-)- citronellal FL/FR dihydromyrcenol FL/FR grapefruit oil c.p. california FL/FR grapefruit pentanol FR lemon oil c.p. california FL/FR lemongrass oil FL/FR lime oil distilled mexico FL/FR litsea cubeba fruit oil FL/FR methyl heptenone FL/FR neroli ketone FR blood orange oil italy FL/FR sweet orange peel oil c.p. brazil FL/FR tetrahydromyrcenol FR dairy methyl butyl phenyl acetate FL/FR earthy methyl undecylenate FL/FR fatty (E,Z)-2,6- dodecadienal FL/FR floral allyl anthranilate FL/FR iso amyl salicylate FL/FR benzyl acetate FL/FR benzyl alcohol FL/FR benzyl isobutyrate FL/FR bois de rose oil brazil FL/FR iso butyl salicylate FL/FR citronellyl acetate FL/FR coriander seed oil FL/FR cyclamen aldehyde FL/FR cyclohexyl ethyl alcohol FL/FR dimethyl benzyl carbinol FL/FR floral pyranol FR gardenia oxide FR geraniol FL/FR geranium pyran FR geranium specialty FR geranyl acetate FL/FR heliotropyl diethyl acetal FR (Z)-3- hexen-1-yl salicylate FL/FR alpha- hexyl cinnamaldehyde FL/FR ho leaf oil FR hyacinth ether FR leerall FR laevo- linalool FL/FR linalool FL/FR linalool oxide FL/FR methyl dihydrojasmonate FL/FR mimosa absolute france FL/FR muguet carboxaldehyde FR muguet octadienol FR nerol FL/FR nerolidol FL/FR neryl acetate FL/FR ocean propanal FL/FR orris pyridine 25% IPM FR peony alcohol FR petitgrain oil paraguay FL/FR phenethyl acetate FL/FR phenethyl alcohol FL/FR rhodinol FL/FR rose butanoate FL/FR tetrahydrolinalool FL/FR violet methyl carbonate FR fruity allyl amyl glycolate FR allyl cyclohexyl propionate FL/FR allyl hexanoate FL/FR bitter almond oil FL/FR iso amyl acetate FL/FR benzaldehyde FL/FR benzyl propionate FL/FR diethyl malonate FL/FR green acetate FR (E)-2- hexen-1-ol FL/FR 2- hexen-1-ol FL/FR hexyl acetate FL/FR methyl 2-methyl valerate FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR gamma- undecalactone (aldehyde C-14 (so-called)) 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 galbanum oil FL/FR 1- heptanol FL/FR heptyl cinnamate FL/FR (Z)-3- hexen-1-ol FL/FR (Z)-2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl benzoate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR 3- hexenal FL/FR hexoxyacetaldehyde dimethyl acetal FR hexyl 2-methyl butyrate FL/FR hexyl heptanoate FL/FR hexyl tiglate FL/FR 2,4- ivy carbaldehyde FL/FR lawsonia inermis leaf oil CO2 extract FR (Z)- leaf acetal FL/FR melon nonenoate FL/FR methyl heptine carbonate FL/FR (E,Z)-2,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR (E,Z)-2,6- nonadienal FL/FR (Z)-5- octen-1-yl propionate FL/FR phenyl acetaldehyde FL/FR 3- phenyl propionaldehyde FL/FR iso propyl phenyl propionaldehyde FR rosa damascena leaf absolute FR rosacyanthin FR rose leaf absolute (rosa centifolia) FL/FR styralyl acetate FL/FR violet leaf absolute FL/FR violet leaf oil (viola odorata) FL/FR herbal anthemis nobilis flower oil roman FL/FR sweet basil absolute FL/FR buchu oxime FR clary sage oil france FL/FR daucus carota fruit oil FL/FR eucalyptus globulus oil FL/FR herbal heptane FR herbal undecanone FR lavender absolute bulgaria FL/FR linalyl acetate FL/FR lovage tincture FL/FR nopyl acetate FR alpha- terpinyl acetate FL/FR valerian rhizome oil FL/FR marine marine pyridine FR melon melon heptenal FL/FR watermelon ketone FR minty peppermint absolute FL/FR iso pulegyl formate FL/FR phenolic methyl benzoate FL/FR powdery para- anisyl acetate FL/FR sulfurous 3-( methyl thio) hexanol FL/FR terpenic frankincense oil FL/FR juniperus communis fruit oil FL/FR alpha- terpineol FL/FR tropical beta- cyclocitral FL/FR waxy ethyl laurate FL/FR woody amber carbinol FR patchouli ethanone FR spruce needle oil canada FL/FR thuja occidentalis leaf oil FL/FR vetiver oil haiti FL/FR woody acetate FR (Z)- woody amylene FR woody propanol FR For Flavor No flavor group found for these acetaldehyde di-(Z)-3-hexen-1-yl acetal FL/FR allyl anthranilate FL/FR (S)-(-)- citronellal FL/FR 9- decenal FL/FR heptyl cinnamate FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR hexyl heptanoate FL/FR iso pulegyl formate FL/FR aldehydic aldehydic nonanal (aldehyde C-9) FL/FR octanal (aldehyde C-8) FL/FR apple (E,Z)-2,6- nonadien-1-ol FL/FR balsamic benzyl benzoate FL/FR benzyl salicylate FL/FR laevo- bornyl acetate FL/FR ethyl cinnamate FL/FR fir needle oil siberia FL/FR citrus bergamot oil bergaptene reduced italy FL/FR citral FL/FR grapefruit oil c.p. california FL/FR lemon oil c.p. california FL/FR lemongrass oil FL/FR lime oil distilled mexico FL/FR laevo- linalool FL/FR linalool FL/FR litsea cubeba fruit oil FL/FR nerol FL/FR blood orange oil italy FL/FR sweet orange peel oil c.p. brazil FL/FR alpha- terpineol FL/FR cooling iso butyl salicylate FL/FR creamy gamma- undecalactone (aldehyde C-14 (so-called)) FL/FR dairy methyl butyl phenyl acetate FL/FR fatty (Z)-3- hexen-1-yl benzoate FL/FR 10- undecenal (aldehyde C-11 undecylenic) FL/FR floral bois de rose oil brazil FL/FR citronellyl acetate FL/FR geraniol FL/FR linalyl acetate FL/FR methyl dihydrojasmonate FL/FR neryl acetate FL/FR ocean propanal FL/FR phenethyl alcohol FL/FR rhodinol FL/FR tetrahydrolinalool FL/FR fruity allyl cyclohexyl propionate FL/FR allyl hexanoate FL/FR bitter almond oil FL/FR iso amyl acetate FL/FR iso amyl benzoate FL/FR para- anisyl acetate FL/FR benzaldehyde FL/FR benzyl acetate FL/FR benzyl alcohol FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR diethyl malonate FL/FR 2- hexen-1-ol FL/FR hexyl acetate FL/FR methyl 2-methyl valerate FL/FR rose butanoate FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR styralyl acetate FL/FR valerian rhizome oil 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 angelica root oil FL/FR cinnamyl alcohol FL/FR cyclamen aldehyde FL/FR cyclohexyl ethyl alcohol FL/FR dihydromyrcenol FL/FR (E,Z)-2,6- dodecadienal FL/FR galbanum oil FL/FR geranyl acetate FL/FR (Z)-3- hexen-1-ol FL/FR (Z)-2- hexen-1-ol FL/FR (E)-2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl formate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (Z)-3- hexen-1-yl salicylate FL/FR (Z)-3- hexen-1-yl tiglate FL/FR 3- hexenal FL/FR hexyl 2-methyl butyrate FL/FR hexyl tiglate FL/FR 2,4- ivy carbaldehyde FL/FR (Z)- leaf acetal FL/FR linalool oxide FL/FR melon heptenal FL/FR melon nonenoate FL/FR methyl heptenone FL/FR methyl heptine carbonate FL/FR nerolidol FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR (E,Z)-2,6- nonadienal FL/FR (Z)-5- octen-1-yl propionate FL/FR 3- phenyl propionaldehyde FL/FR rose leaf absolute (rosa centifolia) FL/FR violet leaf absolute FL/FR violet leaf oil (viola odorata) FL/FR herbal anthemis nobilis flower oil roman FL/FR sweet basil absolute FL/FR clary sage oil france FL/FR coriander seed oil FL/FR daucus carota fruit oil FL/FR eucalyptus globulus oil FL/FR lavender absolute bulgaria FL/FR lovage tincture FL/FR petitgrain oil paraguay FL/FR honey phenethyl acetate FL/FR phenyl acetaldehyde FL/FR medicinal dimethyl benzyl carbinol FL/FR metallic 3-( methyl thio) hexanol FL/FR minty peppermint absolute FL/FR nutty 2- acetyl furan FL/FR phenolic methyl benzoate FL/FR solvent 1- heptanol FL/FR terpenic juniperus communis fruit oil FL/FR tropical beta- cyclocitral FL/FR waxy adoxal (Givaudan) FL/FR decanal (aldehyde C-10) FL/FR ethyl laurate FL/FR alpha- hexyl cinnamaldehyde FL/FR 2- methyl undecanal (aldehyde C-12 mna) FL/FR methyl undecylenate FL/FR mimosa absolute france FL/FR woody iso bornyl acetate FL/FR frankincense oil FL/FR spruce needle oil canada FL/FR alpha- terpinyl acetate FL/FR thuja occidentalis leaf oil FL/FR vetiver oil haiti FL/FR   Potential Uses: FR agate FR agrumen aldehyde FR aldehydic FR alpine bouquet FR amaryllis FR crabapple FR apple green apple FR ash mountain ash FR autumn FR balsam FR bark FR bergamot   blossom tropical blossom FR boxwood FR boxwood blossom FL/FR cajeput FR calamus oil replacer FR cedar forest FR celery FL cherry wild cherry FR christmas FR chrysanthemum FR chypre FL/FR cilantro FR citrus   clean FR clematis FL cloudberry bakeapple FR cognac FR cologne FR cortex FR country meadow FR cranberry FR daffodil   diffusion FR earth   enhancer   ethereal FR evergreen   fantasy blends FR fern FR fig FR fir balsam FR fir needle oil replacer FR floral FR flouve FR flower shop FR foliage FR fresh outdoors FR genet FR ginger white ginger   grass FR green FR heather FR herbal FR hyacinth FR hydrangea FR ivy FR jonquil FR kewda   leaf FR lemon FR lemongrass FR lime FR lotus FR millefleurs FR mint FR narcissus   natural FL nut FR ocean sea FR orris FR pansy FL pear prickly pear FR peony FL pepper tabasco pepper FL/FR petitgrain lime petitgrain FR petunia FR pine FR pineapple FR privet FR privet blossom FR rain FR reseda FR rhubarb FR rose   rose wild rose FR saffron   stem FR sweet pea FL tea FL tomato   topnotes FR tulip FR verbena   vika cologne   vine FR violet FL wasabi   watercress nasturtium   weedy FR yew   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3,5,6-neo cyclocitral meta- cyclocitral 3- cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl- 3,5,6- trimethyl cyclohex-3-ene-1-carbaldehyde   trimethyl cyclohexene carbaldehyde 3,5,6- trimethyl-3-cyclohexene-1-carboxaldehyde 3,5,6- trimethylcyclohex-3-ene-1-carbaldehyde   Articles:   None found yet. 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Notes: None found