3,6-dimethyl-3-octyl acetate
3-octanol, 3,6-dimethyl-, acetate

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  W04271 3,6-dimethyl-3-octanyl acetate

Name: 3,6-dimethyloctan-3-yl acetate CAS Number: 60763-42-0 3D/inchi ECHA EINECS - REACH Pre-Reg: 262-415-5 FDA UNII: Search Nikkaji Web: J268.283D XlogP3-AA: 3.80 (est) Molecular Weight: 200.32168000 Formula: C12 H24 O2 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 liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 211.00 to 212.00 °C. @ 760.00 mm Hg (est) Vapor Pressure: 0.180000 mmHg @ 25.00 °C. (est) Flash Point: 182.00 °F. TCC ( 83.60 °C. ) (est) logP (o/w): 4.451 (est) Soluble in:   alcohol   water, 5.056 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral sweet floral fruity honey waxy Odor Description:at 100.00 %. sweet floral fruity honey waxy Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Synerzine 3,6-dimethyl-3-octanyl acetate   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: oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975. Dermal Toxicity: skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975. 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 3,6-dimethyl-3-octyl acetate usage levels up to:   0.5000 % in the fragrance concentrate.   Recommendation for 3,6-dimethyl-3-octyl acetate 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):60763-42-0 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :108506 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 3,6-dimethyloctan-3-yl acetate Chemidplus:0060763420   References:   3,6-dimethyloctan-3-yl acetate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 60763-42-0 Pubchem (cid): 108506 Pubchem (sid): 135066193   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: 2915.39.9050 ChemSpider: View   Potential Blenders and core components note For Odor aldehydic 3- methyl-4-hexyl oxybutyraldehyde FR balsamic cinnamyl formate FL/FR 3- phenyl propyl acetate FL/FR berry currant fragrance FR gooseberry fragrance FR huckleberry fragrance FR caramellic immortelle absolute FL/FR chocolate cocoa pentenal FL/FR citrus (R)- citronellyl nitrile FR citronitrile (Symrise) FR 2- heptanol FL/FR dairy methyl butyl phenyl acetate FL/FR fatty butyl undecylenate FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR iso amyl angelate FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl isobutyrate FL/FR blue lagoon fragrance FR boronia specialty FR cassie specialty (acacia farnesiana) FR cherry blossom fragrance FR (S)- citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR (E)- citronellyl tiglate FL/FR 3- cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester FR cymbopogon validus leaf oil FR gamma- damascone FR dimethyl benzyl carbinyl acetate FL/FR ethyl anthranilate FL/FR ethyl ethyl anthranilate FL/FR ethyl hydrocinnamate FL/FR eucalyptus macarthurii oil FR geraniol FL/FR geranyl isobutyrate FL/FR geranyl phenyl acetate FL/FR hibiscus fragrance FR ionone mixed isomers FL/FR jasmin cyclopentanone FR jasmin fragrance FR jasmin specialty FR iso jasmone FL/FR linalyl butyrate FL/FR longoza absolute replacer FR magnolia flower oil CO2 extract FL/FR magnolia specialty FR menthadienyl formate FR ortho- methoxybenzyl ethyl ether FR methoxymelonal FL/FR 1-(2- methyl allyl oxy)-3-methoxy-3-methyl-1-butane FR para- methyl benzyl acetate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR white nelumbo nucifera flower absolute FR pink nelumbo nucifera flower absolute FR white nelumbo nucifera flower concrete FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR orris rhizome concrete replacer FR osmanthus absolute replacer FR osmanthus concrete FL/FR petitgrain mandarin oil FL/FR phenethyl acetate FL/FR phenethyl hexanoate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR phenethyl propionate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR rhodinyl butyrate FL/FR rhodinyl phenyl acetate FL/FR rose undecene FR sambucus nigra flower oil CO2 extract FR souroubea specialty FR star fruit oil cuba FL/FR stephanotis flower absolute replacer FR styralyl propionate FL/FR terpinyl valerate FL/FR tetrahydroionyl acetate FR tilia cordata flower oil CO2 extract FR fruity allyl benzoate FR red apple fragrance FR apricot essence FL/FR benzaldehyde / methyl anthranilate schiff's base FR benzyl propionate FL/FR benzyl valerate FL/FR berry hexanoate FR butyl 2-naphthyl ether FL/FR iso butyl furyl propionate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR decanal methyl enol ether FL/FR (R)-gamma- dodecalactone FL/FR eriocephalus punctulatus flower oil FR fig fragrance FR fig specialty FR ginsene FR guava fragrance FR linalool oxide acetates FL/FR melon fragrance FR 3- mercaptohexyl acetate FL/FR methyl bicycloheptenyl methyloxirane carboxylate FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR (±)-3- methyl-gamma-decalactone FL/FR myrascone FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR papaya fragrance FR papaya specialty FR peach nitrile FR plum damascone (high alpha) FR sambucus canadensis fruit absolute FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR (R)- styralyl acetate FL/FR 4-(para- tolyl)-2-butanone FL/FR cis- woody acetate FR green iso amyl 3-(2-furan) propionate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR methyl (E)-3-hexenoate FL/FR phenyl acetaldehyde ethylene glycol acetal FR rosa damascena leaf absolute FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR herbal chamomile isobutyrate FR chamomile propionate FR american elder flower absolute FR geranium cyclohexane FR marigold absolute (tagetes patula) FR methyl cyclogeranate (Firmenich) FR tagete oil madagascar FL/FR honey allyl phenyl acetate FL/FR methyl hydrocinnamate FL/FR methyl phenyl acetate FL/FR medicinal ortho- cresyl acetate FL/FR melon honeydew fragrance FR melon specialty FR mentholic laevo- menthyl acetate FL/FR powdery alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR spicy crocus sativus stigma tincture FR spicy acetoacetate FL/FR sweet beeswax absolute replacer FR tropical triflaige A (ZEON) FR waxy dihydrocitronellyl acetate FL/FR (E)- methyl geranate FL/FR phytyl acetate FL/FR woody 2- decalinyl acetate FR melozol acetate FR rhubarb oxirane FR For Flavor No flavor group found for these iso amyl angelate FL/FR benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR ortho- cresyl acetate FL/FR dihydrocitronellyl acetate FL/FR (R)-gamma- dodecalactone FL/FR ethyl ethyl anthranilate FL/FR ethyl hydrocinnamate FL/FR geranyl phenyl acetate FL/FR ionone mixed isomers FL/FR linalool oxide acetates FL/FR magnolia flower oil CO2 extract FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)- methyl geranate FL/FR methyl hydrocinnamate FL/FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR iso propyl benzoate FL/FR (R)- styralyl acetate FL/FR iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR decanal methyl enol ether FL/FR balsamic balsamic 3- phenyl propyl acetate FL/FR citrus petitgrain mandarin oil FL/FR styralyl propionate FL/FR dairy methyl butyl phenyl acetate FL/FR ethereal methyl isobutyrate FL/FR fatty methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR cocoa pentenal FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR linalyl butyrate FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl phenyl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR phenethyl propionate FL/FR rhodinyl butyrate FL/FR fruity apricot essence FL/FR benzyl acetate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR ethyl anthranilate FL/FR 2- heptanol FL/FR methoxymelonal FL/FR para- methyl benzyl acetate FL/FR alpha- methyl ionone FL/FR 3- nonanon-1-yl acetate FL/FR osmanthus concrete FL/FR phenethyl isovalerate FL/FR sambucus canadensis fruit absolute FL/FR star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR tagete oil madagascar FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR green (E)- citronellyl tiglate FL/FR (Z)-3- hexen-1-yl phenyl acetate FL/FR immortelle absolute FL/FR iso jasmone FL/FR methyl (E)-3-hexenoate FL/FR honey allyl phenyl acetate FL/FR phenethyl acetate FL/FR phenethyl isobutyrate FL/FR minty laevo- menthyl acetate FL/FR nutty phytyl acetate FL/FR spicy cinnamyl formate FL/FR spicy acetoacetate FL/FR tropical 3- mercaptohexyl acetate FL/FR waxy butyl undecylenate FL/FR (±)-3- methyl-gamma-decalactone FL/FR phenethyl hexanoate FL/FR 4- phenyl-3-buten-2-ol FL/FR rhodinyl phenyl acetate FL/FR woody methyl ionyl acetate FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3,6- dimethyl octan-3-yl acetate 3,6- dimethyl-3-octanol acetate 3,6- dimethyl-3-octanyl acetate 3,6- dimethyloctan-3-yl acetate 3- octanol, 3,6-dimethyl-, acetate   Articles:   None found yet. Try the PubMed Search.

Notes: None found