tetrahydroionyl acetate
cyclohexanepropanol, a,2,2,6-tetramethyl-, acetate

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Name: 4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate CAS Number: 68555-59-9 3D/inchi ECHA EINECS - REACH Pre-Reg: 271-435-3 FDA UNII: Search Nikkaji Web: J309.196A XlogP3-AA: 4.90 (est) Molecular Weight: 240.38656000 Formula: C15 H28 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 clear liquid (est) Assay: 96.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.92000 to 0.93000 @ 25.00 °C. Pounds per Gallon - (est).: 7.655 to 7.739 Refractive Index: 1.45300 to 1.46300 @ 20.00 °C. Boiling Point: 85.00 °C. @ 2.00 mm Hg Boiling Point: 268.00 to 269.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est) Flash Point: 230.00 °F. TCC ( 110.00 °C. ) logP (o/w): 5.582 (est) Soluble in:   alcohol   water, 0.2849 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral fruity floral berry Odor Description:at 100.00 %. fruity floral berry Odor and/or flavor descriptions from others (if found). Bedoukian Research TETRAHYDROIONYL ACETATE ≥90.0%, Kosher Odor Description:A fruity, floral berry like odor Used for an intense floral berry note.   Cosmetic Information: None found   Suppliers:   None found   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 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 Recommendation for tetrahydroionyl acetate usage levels up to:   5.0000 % in the fragrance concentrate.   Recommendation for tetrahydroionyl 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):68555-59-9 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :109468 National Institute of Allergy and Infectious Diseases:Data WGK Germany:1 4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate Chemidplus:0068555599   References:   4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 109468 Pubchem (sid): 135064766   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: 2915.39.9500 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (E)-5- nonen-2-one FL/FR iso prenyl acetate FL/FR acidic acidic 2- ethyl butyric acid FL/FR 2- methyl-2-pentenoic acid FL/FR aldehydic 3- methyl-4-hexyl oxybutyraldehyde FR alliaceous methyl furfuryl disulfide FL/FR amber ambrette seed absolute FL/FR anisic para- anisyl propanal FR balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR conifer acetate FR ethyl cinnamate FL/FR fir balsam absolute FR methyl (E)-cinnamate FL/FR methyl cinnamate FL/FR berry sec- butyl ethyl ether FL/FR raspberry ketone FL/FR raspberry ketone acetate FL/FR raspberry ketone methyl ether FL/FR camphoreous alpha- campholenic alcohol FL/FR caramellic ethyl maltol FL/FR maltyl isobutyrate FL/FR maltyl propionate FL/FR strawberry furanone FL/FR citrus (R)- citronellyl nitrile FR citronitrile (Symrise) FR 2- heptanol FL/FR earthy 3- octen-2-one FL/FR ethereal propyl formate FL/FR fatty butyl undecylenate FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR valeraldehyde FL/FR floral acetal 318 FR iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR blue lagoon fragrance FR (S)- citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR 3- cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester FR cyclohexyl ethyl acetate FL/FR cymbopogon validus leaf oil FR beta- damascenone FL/FR alpha- damascone FL/FR dihydro-alpha-ionone FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR 3,6- dimethyl-3-octyl acetate FR ethyl anthranilate FL/FR ethyl ethyl anthranilate FL/FR ethyl ortho-anisate FL/FR eucalyptus macarthurii oil FR geraniol FL/FR geranyl isobutyrate FL/FR heliotropyl acetate FL/FR heliotropyl acetone FL/FR hibiscus fragrance FR hibiscus sabdariffa flower extract FL/FR hyacinth ether FR beta- ionone FL/FR ionone mixed isomers FL/FR beta- ionyl acetate FL/FR jasmin cyclopentanone FR iso jasmone FL/FR linalyl butyrate FL/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 beta- naphthyl anthranilate FL/FR white nelumbo nucifera flower absolute FR pink nelumbo nucifera flower absolute FR white nelumbo nucifera flower concrete FR nerolin fragarol FL/FR 3- nonanon-1-yl acetate FL/FR orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR orris rhizome concrete butter (iris pallida) FL/FR orris rhizome oil (iris germanica) FL/FR orris rhizome resinoid (iris pallida) FL/FR osmanthus absolute replacer FR osmanthus concrete FL/FR petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR phenethyl butyrate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR phenethyl pivalate 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 acetate substitutes FL/FR rhodinyl butyrate FL/FR rose carboxylate FR rose undecene FR souroubea specialty FR star fruit oil cuba FL/FR styralyl propionate FL/FR terpinyl valerate FL/FR fruity acetyl methyl anthranilate FL/FR allyl benzoate FR iso amyl 2-methyl butyrate FL/FR apricot essence FL/FR artemisia pallens herb oil FL/FR benzaldehyde / methyl anthranilate schiff's base FR benzyl butyrate FL/FR benzyl propionate FL/FR benzyl valerate FL/FR 3- benzyl-4-heptanone FL/FR berry hexanoate FR berry pentadienoate FL/FR bisabolene FL/FR butyl 2-naphthyl ether FL/FR butyl anthranilate FL/FR iso butyl anthranilate FL/FR iso butyl butyrate FL/FR iso butyl furyl propionate FL/FR butyl hexanoate FL/FR iso butyl isovalerate FL/FR butyl valerate FL/FR iso butyl-3-(methyl thio) butyrate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR (R)-gamma- dodecalactone FL/FR eriocephalus punctulatus flower oil FR ethyl 2-hydroxy-3-methyl valerate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR ethyl para-methyl-beta-phenyl glycidate FR (E)- ethyl tiglate FL/FR ethyl valerate FL/FR filbert hexenone FL/FR fruity ketal FL/FR geranyl butyrate FL/FR geranyl isovalerate FL/FR ginsene FR heliotropyl isobutyrate FL/FR heptyl isobutyrate FL/FR hexyl isovalerate FL/FR beta- ionone epoxide FL/FR leather propionate FR linalool oxide acetates FL/FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl 2-methyl valerate FL/FR methyl beta-ionol FR methyl bicycloheptenyl methyloxirane carboxylate FR methyl heptanoate FL/FR methyl isobutyrate FL/FR methyl propionate FL/FR (E)-7- methyl-3-octen-2-one FL/FR (±)-3- methyl-gamma-decalactone FL/FR myrascone FR neryl isobutyrate FL/FR 2- nonanone propylene glycol acetal FL/FR 3- nonen-2-one FL/FR alpha- ocimene FL/FR octyl propionate FL/FR osmanthus flower absolute FL/FR peach nitrile FR 3- phenyl propyl isovalerate FL/FR phenyl propyl valerate FL/FR plum damascone (high alpha) FR iso propenyl acetate FL/FR propyl acetate FL/FR propyl heptanoate FL/FR iso propyl hexanoate FL/FR propyl isobutyrate FL/FR prune glycidate FR rhubarb pyran FR sambucus canadensis fruit absolute FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR (R)- styralyl acetate FL/FR styralyl butyrate FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR tropical trithiane FL/FR vanilla carboxylate FL/FR cis- woody acetate FR green acetaldehyde methyl hexyl acetal FR iso amyl 3-(2-furan) propionate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexoxyacetaldehyde dimethyl acetal FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR thiogeraniol FL/FR herbal artemisyl ketone FL/FR (S)- campholene acetate FL/FR chamomile isobutyrate FR chamomile propionate FR chamomile valerate FR clary propyl acetate FR iso dihydrolavandulal FL/FR geranium cyclohexane FR herbal undecanone FR methyl cyclogeranate (Firmenich) FR tagete oil madagascar FL/FR jammy ethyl 2-methyl-2-pentenoate FR medicinal ortho- cresyl acetate FL/FR mentholic menthyl acetate racemic FL/FR nutty 2- methyl-3-pentenoic acid FL/FR phenolic ortho- cresyl isobutyrate FL/FR powdery alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR soapy ambrettolide FL/FR spicy para- anisyl formate FL/FR spicy acetoacetate FL/FR sulfurous blackberry thiophenone FL/FR buchu mercaptan FL/FR mango thiol FL/FR 2- phenethyl isothiocyanate FL/FR terpenic pine needle oil dwarf FL/FR tropical triflaige A (ZEON) FR waxy dihydrocitronellyl acetate FL/FR (E)- methyl geranate FL/FR (E)-2- octen-1-yl butyrate FL/FR orris rhizome oil CO2 extract FL/FR phytyl acetate FL/FR woody bornyl valerate FL/FR 2- decalinyl acetate FR juniper berry oleoresin FL/FR melozol acetate FR rhubarb oxirane FR For Flavor No flavor group found for these iso amyl angelate FL/FR artemisyl ketone FL/FR benzyl valerate FL/FR blackberry thiophenone FL/FR butyl 2-naphthyl ether FL/FR sec- butyl ethyl ether FL/FR iso butyl-3-(methyl thio) butyrate FL/FR alpha- campholenic alcohol FL/FR ortho- cresyl acetate FL/FR ortho- cresyl isobutyrate FL/FR dihydrocitronellyl acetate FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (R)-gamma- dodecalactone FL/FR ethyl 2-hydroxy-3-methyl valerate FL/FR ethyl ethyl anthranilate FL/FR ethyl ortho-anisate FL/FR beta- ionone epoxide FL/FR ionone mixed isomers FL/FR linalool oxide acetates FL/FR magnolia flower oil CO2 extract FL/FR menthyl acetate racemic FL/FR methyl (E)-cinnamate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)- methyl geranate FL/FR 2- methyl-3-pentenoic acid FL/FR 2- nonanone propylene glycol acetal FL/FR (E)-5- nonen-2-one FL/FR alpha- ocimene FL/FR (E)-2- octen-1-yl butyrate FL/FR 2- phenethyl isothiocyanate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 3- phenyl propyl isovalerate FL/FR phenyl propyl valerate FL/FR iso prenyl acetate FL/FR iso propyl benzoate FL/FR iso propyl hexanoate FL/FR rhodinyl acetate substitutes 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 acidic acidic 2- ethyl butyric acid FL/FR balsamic ethyl cinnamate FL/FR phenethyl pivalate FL/FR berry dihydro-alpha-ionone FL/FR heliotropyl acetone FL/FR heptyl isobutyrate FL/FR hibiscus sabdariffa flower extract FL/FR raspberry ketone FL/FR raspberry ketone acetate FL/FR raspberry ketone methyl ether FL/FR caramellic ethyl maltol FL/FR maltyl propionate FL/FR strawberry furanone FL/FR citrus bisabolene FL/FR petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR styralyl propionate FL/FR coffee methyl furfuryl disulfide FL/FR creamy 3- octen-2-one FL/FR estery octyl propionate FL/FR propyl acetate FL/FR ethereal methyl isobutyrate FL/FR iso propenyl acetate FL/FR fatty 4- ethyl octanoic acid FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR heliotropyl acetate FL/FR linalyl butyrate FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR orris rhizome oil (iris germanica) FL/FR orris rhizome resinoid (iris pallida) FL/FR rhodinyl butyrate FL/FR tropical ionone FL/FR fruity acetyl methyl anthranilate FL/FR iso amyl 2-methyl butyrate FL/FR apricot essence FL/FR artemisia pallens herb oil FL/FR benzyl acetate FL/FR benzyl butyrate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR 3- benzyl-4-heptanone FL/FR berry pentadienoate FL/FR iso butyl anthranilate FL/FR butyl anthranilate FL/FR iso butyl butyrate FL/FR butyl hexanoate FL/FR butyl valerate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR (Z)-beta- damascone FL/FR alpha- damascone FL/FR (E)-beta- damascone FL/FR ethyl anthranilate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E)- ethyl tiglate FL/FR ethyl valerate FL/FR filbert hexenone FL/FR fruity ketal FL/FR geranyl butyrate FL/FR heliotropyl isobutyrate FL/FR 2- heptanol FL/FR methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR methyl 2-methyl valerate FL/FR para- methyl benzyl acetate FL/FR methyl heptanoate FL/FR alpha- methyl ionone FL/FR methyl propionate FL/FR beta- naphthyl anthranilate FL/FR nerolin fragarol FL/FR neryl isobutyrate FL/FR 3- nonanon-1-yl acetate FL/FR osmanthus concrete FL/FR osmanthus flower absolute FL/FR phenethyl butyrate FL/FR phenethyl isovalerate FL/FR propyl formate FL/FR propyl isobutyrate FL/FR sambucus canadensis fruit absolute FL/FR star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR styralyl butyrate FL/FR tagete oil madagascar FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical trithiane FL/FR vanilla carboxylate FL/FR green iso butyl isovalerate FL/FR (E)- citronellyl tiglate FL/FR cyclohexyl ethyl acetate FL/FR geranyl isovalerate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR iso jasmone FL/FR thiogeraniol FL/FR herbal iso dihydrolavandulal FL/FR honey phenethyl isobutyrate FL/FR jammy (S)- campholene acetate FL/FR maltyl isobutyrate FL/FR nutty phytyl acetate FL/FR oily 3- nonen-2-one FL/FR pine pine needle oil dwarf FL/FR soapy ambrettolide FL/FR sour 2- methyl-2-pentenoic acid FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR methyl cinnamate FL/FR spicy acetoacetate FL/FR sulfurous buchu mercaptan FL/FR mango thiol FL/FR sweet orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR tropical alpha- amyl cinnamaldehyde FL/FR 3- mercaptohexyl acetate FL/FR waxy butyl undecylenate FL/FR (±)-3- methyl-gamma-decalactone FL/FR 4- phenyl-3-buten-2-ol FL/FR propyl heptanoate FL/FR winey valeraldehyde FL/FR woody ambrette seed absolute FL/FR bornyl valerate FL/FR beta- damascenone FL/FR beta- ionone FL/FR beta- ionyl acetate FL/FR juniper berry oleoresin FL/FR methyl ionyl acetate FL/FR orris rhizome oil CO2 extract FL/FR   Potential Uses: FR berry FR floral FR fruit FR gooseberry   Occurrence (nature, food, other):note   not found in nature   Synonyms:   cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-, acetate   cyclohexanepropanol, a,2,2,6-tetramethyl-, acetate   cyclohexanepropanol, alpha,2,2,6-tetramethyl-, 1-acetate   cyclohexanepropanol, alpha,2,2,6-tetramethyl-, acetate alpha,2,2,6- tetramethyl cyclohexyl propyl acetate 4-(2,2,6- trimethylcyclohexyl)butan-2-yl acetate   Articles:   None found yet. Try the PubMed Search.

Notes: None found

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