terpinyl valerate
pentanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester

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Name: 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate CAS Number: 14481-55-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 238-477-4 FDA UNII: Search Nikkaji Web: J217.032I CoE Number: 473 XlogP3-AA: 3.80 (est) Molecular Weight: 238.37062000 Formula: C15 H26 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   Physical Properties: Appearance: colorless clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.94200 @ 25.00 °C. Boiling Point: 295.00 to 296.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: 195.00 °F. TCC ( 90.56 °C. ) logP (o/w): 5.264 (est) Soluble in:   alcohol   water, 0.299 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl valerate allyl isovalerate amyl valerate amyl isovalerate isoamyl valerate isoamyl isovalerate para-anisyl isovalerate para-anisyl valerate benzyl valerate benzyl isovalerate bornyl valerate bornyl isovalerate (-)-bornyl isovalerate isobornyl isovalerate S-sec-butyl thioisovalerate butyl valerate butyl isovalerate isobutyl valerate isobutyl isovalerate carvyl isovalerate cinnamyl valerate cinnamyl isovalerate citronellyl valerate citronellyl isovalerate para-cresyl valerate para-cresyl isovalerate cyclohexyl valerate cyclohexyl isovalerate cyclotene isovalerate decyl valerate decyl isovalerate ethyl valerate ethyl isovalerate eugenyl isovalerate furfuryl isovalerate furfuryl valerate geranyl valerate geranyl isovalerate (E)-2-hepten-1-yl isovalerate heptyl isovalerate sec-heptyl isovalerate heptyl valerate (E)-2-hexen-1-yl valerate (E)-2-hexen-1-yl isovalerate (Z)-3-hexen-1-yl valerate (Z)-3-hexen-1-yl isovalerate hexyl valerate hexyl isovalerate linalyl valerate linalyl isovalerate menthyl valerate menthyl isovalerate methyl 2-methyl valerate methyl 4-methyl valerate 2-methyl butyl isovalerate 4-methyl pentyl isovalerate methyl thio isovalerate methyl valerate methyl isovalerate myrtenyl isovalerate neryl isovalerate nonyl isovalerate nonyl valerate octyl valerate octyl isovalerate phenethyl isovalerate 2-phenethyl valerate 3-phenyl propyl isovalerate phenyl propyl valerate S-prenyl thioisovalerate isopropyl thioisovalerate propyl valerate propyl isovalerate isopropyl valerate isopropyl isovalerate rhodinyl isovalerate terpinyl isovalerate   Organoleptic Properties: Odor Type: floral fruity floral Odor Description:at 100.00 %. fruity floral Flavor Type: fruity apple bitter sweet fruity Taste Description: apple bitter sweet Odor and/or flavor descriptions from others (if found).   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: 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 terpinyl valerate usage levels up to:   8.0000 % in the fragrance concentrate.     Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :85741 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate Chemidplus:0014481551   References:   2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 85741 Pubchem (sid): 135044560 Pherobase: View   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): HMDB32054 FooDB: FDB008759 Export Tariff Code: 2915.60.0000 VCF-Online: VCF Volatile Compounds in Food 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 iso prenyl acetate FL/FR aldehydic aldehydic 3- methyl-4-hexyl oxybutyraldehyde FR anisic ethyl para-anisate FL/FR balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR terpinyl isovalerate FL/FR caramellic maple furanone FL/FR shoyu furanone FL/FR chemical iso butyl formate FL/FR propyl propionate FL/FR citrus (R)- citronellyl nitrile FR citronitrile (Symrise) FR 2- ethyl-1-hexanol FL/FR 2- heptanol FL/FR ethereal ethyl acetate FL/FR iso propyl formate FL/FR fatty butyl undecylenate FL/FR 3- decen-2-one FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR acetophenone FL/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 anthranilate 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 cymbopogon validus leaf oil FR alpha- damascone FL/FR gamma- damascone 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 eucalyptus macarthurii oil FR geraniol FL/FR geranyl isobutyrate FL/FR hibiscus fragrance FR ionone mixed isomers 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 methyl citronellate FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR pink nelumbo nucifera flower absolute FR white 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 osmanthus absolute replacer FR osmanthus concrete FL/FR petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate 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 rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR rose undecene FR souroubea specialty FR star fruit oil cuba FL/FR styralyl propionate FL/FR tetrahydroionyl acetate FR fruity allyl benzoate FR amyl 2-methyl butyrate FL/FR amyl isobutyrate FL/FR amyl isovalerate FL/FR iso amyl valerate FL/FR apple ketal FL/FR apricot essence FL/FR benzaldehyde / methyl anthranilate schiff's base FR benzyl isovalerate FL/FR benzyl propionate FL/FR benzyl valerate FL/FR berry hexanoate FR butyl 2-naphthyl ether FL/FR iso butyl acetoacetate FL/FR iso butyl anthranilate FL/FR iso butyl furyl propionate FL/FR butyl isovalerate FL/FR iso butyl isovalerate FL/FR citronellyl isobutyrate FL/FR cyclohexyl butyrate FL/FR cyclohexyl isovalerate FL/FR beta- damascone FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR (R)-gamma- dodecalactone FL/FR eriocephalus punctulatus flower oil FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl benzoyl acetate FL/FR ethyl butyrate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR ethyl levulinate FL/FR ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR fruity ketal FL/FR geranyl 2-methyl butyrate FL/FR geranyl isovalerate FL/FR ginsene FR heptyl isobutyrate FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl formate FL/FR linalool oxide acetates FL/FR linalyl isobutyrate FL/FR menthyl isovalerate FL/FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl anthranilate FL/FR methyl bicycloheptenyl methyloxirane carboxylate FR methyl butyrate FL/FR methyl heptanoate FL/FR methyl isobutyrate FL/FR methyl isovalerate FL/FR methyl valerate 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 nonyl isovalerate FL/FR alpha- ocimene FL/FR peach nitrile FR plum damascone (high alpha) FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR propyl heptanoate FL/FR propyl hexanoate FL/FR propyl isovalerate FL/FR iso propyl isovalerate FL/FR iso propyl octanoate FL/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 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR vanilla carboxylate FL/FR cis- woody acetate FR green iso amyl 3-(2-furan) propionate FL/FR butyl heptanoate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (Z)-3- hexenal diethyl acetal FL/FR hexoxyacetaldehyde dimethyl acetal FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR marigold pot flower CS 2- octen-1-ol FL/FR (E)-2- octen-1-ol FL/FR (E)-2- pentenal FL/FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR herbal chamomile isobutyrate FR chamomile propionate FR chamomile valerate FR clary propyl acetate FR geranium cyclohexane FR methyl cyclogeranate (Firmenich) FR tagete oil madagascar FL/FR medicinal ortho- cresyl acetate FL/FR powdery alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR spicy para- anisyl formate FL/FR honey extract CS (E)- propyl 2-furan acrylate FL/FR spicy acetoacetate FL/FR tropical triflaige A (ZEON) FR waxy dihydrocitronellyl acetate FL/FR ethyl decanoate FL/FR (E)- methyl geranate FL/FR phytyl acetate FL/FR woody 2- decalinyl acetate FR marine formate FR melozol acetate FR rhubarb oxirane FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL amyl 2-methyl butyrate FL/FR amyl angelate FL iso amyl angelate FL/FR amyl isobutyrate FL/FR amyl isovalerate FL/FR benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR 2- butyl thiophene FL ortho- cresyl acetate FL/FR cyclohexyl butyrate FL/FR 2,4- difurfuryl furan FL dihydrocitronellyl acetate FL/FR S-(2,5- dimethyl-3-furyl) ethane thioate FL (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR (R)-gamma- dodecalactone FL/FR ethyl 3-hydroxyoctanoate FL ethyl ethyl anthranilate FL/FR geranyl 2-methyl butyrate FL/FR heptyl 2-methyl butyrate FL (Z)-3- hexenal diethyl acetal FL/FR (E)-2- hexenal dimethyl acetal FL 4- hydroxyphenethyl alcohol FL 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 2- nonanone propylene glycol acetal FL/FR nonyl isovalerate FL/FR alpha- ocimene FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR iso prenyl acetate FL/FR iso propyl benzoate FL/FR propyl isovalerate FL/FR iso propyl isovalerate FL/FR (R)- styralyl acetate FL/FR vitispirane FL iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR acidic acidic (E)-2- hexenoic acid FL anise ethyl para-anisate FL/FR berry heptyl isobutyrate FL/FR bitter terpinyl isovalerate FL/FR burnt ethyl 2-furoate FL caramellic maple furanone FL/FR shoyu furanone FL/FR chocolate bittersweet chocolate flavor FL citrus petitgrain lemon oil FL/FR petitgrain mandarin oil FL/FR styralyl propionate FL/FR ethereal ethyl acetate FL/FR methyl isobutyrate FL/FR fatty 4- ethyl octanoic acid FL/FR 2- ethyl-1-hexanol FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR (E)-2- octen-1-ol FL/FR 2- octen-1-ol 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 linalyl butyrate FL/FR linalyl isobutyrate FL/FR 2- methyl butyl 3-methyl butenoate FL methyl citronellate 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 rhodinyl butyrate FL/FR rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR tropical ionone FL/FR fruity iso amyl valerate FL/FR apple ketal FL/FR apricot essence FL/FR benzyl acetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR benzyl isovalerate FL/FR benzyl propionate FL/FR iso butyl acetoacetate FL/FR iso butyl anthranilate FL/FR butyl heptanoate FL/FR butyl isovalerate FL/FR citronellyl anthranilate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR cyclohexyl isovalerate FL/FR alpha- damascone FL/FR (Z)-beta- damascone FL/FR (E)-beta- damascone FL/FR ethyl 3-(2-furyl) propanoate FL/FR ethyl 3-hydroxyhexanoate FL/FR ethyl anthranilate FL/FR ethyl benzoyl acetate FL/FR ethyl butyrate FL/FR ethyl isovalerate FL/FR ethyl lactate FL/FR ethyl levulinate FL/FR ethyl propionate FL/FR (E,E)- ethyl sorbate FL/FR ethyl valerate FL/FR fruity ketal FL/FR 2- furyl pentyl ketone FL 2- heptanol FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL menthyl isovalerate FL/FR methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR methyl 4-phenyl butyrate FL methyl anthranilate FL/FR para- methyl benzyl acetate FL/FR methyl heptanoate FL/FR alpha- methyl ionone FL/FR methyl isovalerate FL/FR (E,E)- methyl sorbate FL methyl valerate FL/FR 3- nonanon-1-yl acetate FL/FR osmanthus concrete FL/FR phenethyl isovalerate FL/FR 2- phenyl-4-pentenal FL (E)- propyl 2-furan acrylate FL/FR iso propyl 2-methyl butyrate FL/FR propyl butyrate FL/FR iso propyl formate FL/FR propyl hexanoate FL/FR iso propyl octanoate 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 tagete oil madagascar FL/FR 4-(para- tolyl)-2-butanone FL/FR vanilla carboxylate FL/FR fusel methyl butyrate FL/FR green iso butyl isovalerate FL/FR (E)- citronellyl tiglate FL/FR 3- decen-2-one FL/FR geranyl isovalerate FL/FR (E)-2- heptenal FL (Z)-3- hexen-1-yl acetate FL/FR (E)-2- hexen-1-yl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR hexyl 2-methyl butyrate FL/FR hexyl butyrate FL/FR hexyl formate FL/FR hexyl isobutyrate FL/FR iso jasmone FL/FR (E)-2- pentenal FL/FR honey phenethyl isobutyrate FL/FR nutty phytyl acetate FL/FR powdery acetophenone FL/FR rummy iso butyl formate FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR spicy acetoacetate FL/FR sulfurous S- ethyl thioacetate FL tropical alpha- amyl cinnamaldehyde FL/FR 3- mercaptohexyl acetate FL/FR propyl propionate FL/FR waxy butyl undecylenate FL/FR ethyl decanoate FL/FR (±)-3- methyl-gamma-decalactone FL/FR 4- phenyl-3-buten-2-ol FL/FR propyl heptanoate FL/FR woody methyl ionyl acetate FL/FR   Potential Uses: FR apple FR apricot FR banana FR cypress oil replacer FR gooseberry FR grape FR pineapple FR plum FR raspberry FR strawberry FR tobacco FR woodruff   Occurrence (nature, food, other):note   cypress mediterranean cypress oil Search Trop Picture   Synonyms: p- menth-1-en-8-yl pentanoate para- menth-1-en-8-yl pentanoate 1- methyl-1-(4-methyl cyclohex-3-enyl) ethyl valerate 1- methyl-1-(4-methylcyclohex-3-enyl)ethyl valerate 2-(4- methyl-1-cyclohex-3-enyl) propan-2-yl pentanoate 2-(4- methyl-1-cyclohex-3-enyl)propan-2-yl pentanoate 2-(4- methyl-1-cyclohex-3-enyl)propan-2-ylpentanoate 2-(4- methylcyclohex-3-en-1-yl)propan-2-yl valerate   pentanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester   terpenyl pentanoate   terpinyl valerianate   valeric acid p-menth-1-en-8-yl ester   valeric acid para-menth-1-en-8-yl ester   valeric acid, p-menth-1-en-8-yl ester   Articles:   None found yet. Try the PubMed Search.

Notes: Prob. a flavouring agent

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