rhodinyl isobutyrate
3,7-dimethyl-7-octen-1-yl isobutyrate

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  Penta International Corporation

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  18-22500 RHODINYL ISOBUTYRATE

Fragrance Demo Formulas Name: 3,7-dimethyloct-7-enyl 2-methylpropanoate CAS Number: 138-23-8 3D/inchi Other(deleted CASRN): 1138-23-8 ECHA EINECS - REACH Pre-Reg: 205-318-5 FDA UNII: MPU705W90M Nikkaji Web: J184.410E CoE Number: 297 XlogP3-AA: 5.10 (est) Molecular Weight: 226.35962000 Formula: C14 H26 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: JECFA CASrn 1338-23-8 not valid. 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 JECFA Food Flavoring: 74 rhodinyl isobutyrate DG SANTE Food Flavourings: 09.940 rhodinyl isobutyrate FEMA Number: 2983 rhodinyl isobutyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 138-23-8 ; RHODINYL ISOBUTYRATE FDA Regulation: FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.   Physical Properties: Appearance: colorless to pale yellow clear oily liquid (est) Assay: 85.00 to 100.00 Equivalence Factor for Assay: 113.18 Food Chemicals Codex Listed: No Specific Gravity: 0.88000 to 0.89000 @ 25.00 °C. Pounds per Gallon - (est).: 7.322 to 7.406 Specific Gravity: 0.88100 to 0.89100 @ 20.00 °C. Pounds per Gallon - est.: 7.339 to 7.423 Refractive Index: 1.44800 to 1.45300 @ 20.00 °C. Boiling Point: 260.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Flash Point: > 212.00 °F. TCC ( > 100.00 °C. ) logP (o/w): 5.069 (est) Soluble in:   alcohol   water, 0.582 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral Odor Strength:medium Substantivity:348 hour(s) at 100.00 % sweet natural rose red rose spicy fruity tropical geranium Odor Description:at 100.00 %. sweet natural red rose spicy fruity tropical geranium Luebke, William tgsc, (1987) Odor sample from: International Flavors & Fragrances Inc. Flavor Type: floral floral rose tropical fruity spicy powdery soapy geranium Taste Description: sweet floral rose tropical fruity spicy powdery soapy geranium Luebke, William tgsc, (1987) Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Penta International RHODINYL ISOBUTYRATE   Safety Information: European information : Most important hazard(s): Xi - Irritant R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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. Human Experience: 4 % solution: no irritation or sensitization. Oral/Parenteral Toxicity: oral-rat LD50 > 5000 mg/kg (Moreno, 1975f) 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 rhodinyl isobutyrate usage levels up to:   4.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 3 Click here to view publication 3   average usual ppm average maximum ppm baked goods: - 4.50000 beverages(nonalcoholic): - 1.10000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 1.80000 fruit ices: - 1.80000 gelatins / puddings: - 0.01000 granulated sugar: - - gravies: - - hard candy: - 3.30000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):138-23-8 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61085 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 3,7-dimethyloct-7-enyl 2-methylpropanoate Chemidplus:0000138238   References:   3,7-dimethyloct-7-enyl 2-methylpropanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 138-23-8 Pubchem (cid): 61085 Pubchem (sid): 135017141   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 FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB37189 FooDB: FDB016191 Export Tariff Code: 2915.60.0000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor acidic 2- ethyl butyric acid FL/FR anisic ethyl para-anisate FL/FR 3- pentyl bicyclo[3.2.1]-6-octen-2-one FR balsamic butyl cinnamate FL/FR cinnamyl cinnamate FL/FR ethyl cinnamate FL/FR linalyl cinnamate FL/FR methyl cinnamate FL/FR iso propyl cinnamate FL/FR terpinyl cinnamate FL/FR tolu balsam oil FL/FR caramellic 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR strawberry furanone acetate FL/FR cheesy 2- heptanone FL/FR citrus bergamot oil bergaptene reduced italy FL/FR coconut tetrahydrojasmone FR earthy pinus sylvestris leaf absolute FL/FR ethereal iso propyl formate FL/FR iso valeraldehyde propylene glycol acetal FL/FR floral acetal 318 FR alpha- amyl cinnamaldehyde FL/FR alpha- amyl cinnamyl acetate FL/FR para- anisyl butyrate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR blue lagoon fragrance FR iso butyl salicylate FL/FR cassie absolute FL/FR cassis buteneone FR cassis specialty FR citronellal diisotridecyl acetal FR citronellol FL/FR laevo- citronellol FL/FR citronellyl acetate FL/FR (S)- citronellyl acetate FL/FR citronellyl anthranilate FL/FR citronellyl hexanoate FL/FR citronellyl phenyl acetate FL/FR (E)- citronellyl tiglate FL/FR para- cresyl acetate FL/FR black currant bud concrete FL/FR beta- damascenone FL/FR delta- damascone FL/FR (Z)-4- decen-1-yl acetate FL/FR dimethyl benzyl carbinyl acetate FL/FR dimethyl octanol FL/FR ethyl linalyl acetate FR ethyl ortho-anisate FL/FR iso eugenyl ethyl acetal FR geraniol FL/FR geranium oil FL/FR geranium oil bourbon FL/FR geranium rose-scented oil cuba FR geranyl acetone FL/FR geranyl hexanoate FL/FR geranyl isobutyrate FL/FR geranyl phenyl acetate FL/FR geranyl propionate FL/FR geranyl valerate FL/FR 2- hexylidene cyclopentanone FL/FR alpha- ionone FL/FR lilac pentanol FL/FR methyl citronellate FL/FR mimosa absolute FL/FR mimosa absolute france FL/FR mimosa absolute india FL/FR muguet carbinol FL/FR neryl acetate FL/FR phenethyl acetate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR phenethyl pivalate FL/FR phenethyl propionate FL/FR 2- phenethyl valerate FL/FR phenyl acetaldehyde digeranyl acetal FR rhodinol FL/FR rhodinyl acetate FL/FR rhodinyl butyrate FL/FR rhodinyl isovalerate FL/FR rosa odorata flower oil FR rose absolute (rosa centifolia) FL/FR rose absolute (rosa centifolia) morocco FL/FR rose butanoate FL/FR rose carbonate FR rose carboxylate FR rose concrete (rosa damascena) FR rose oil (rosa centifolia) egypt FL/FR rose oil (rosa damascena) iran FL/FR rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR (Z)- rose oxide FL/FR souroubea specialty FR styralyl isobutyrate FL/FR styralyl propionate FL/FR ylang ylang flower oil III FL/FR fruity allyl cyclohexyl propionate FL/FR para- anisyl methyl ketone FL/FR benzyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl isobutyrate FL/FR 1,4- diethyl-6,8-dioxabicyclo(3.2.1)octane FR ethyl isovalerate FL/FR (E)- ethyl tiglate FL/FR geranyl butyrate FL/FR heliotropyl isobutyrate FL/FR heptyl butyrate FL/FR kiwi specialty FR lychee fragrance FR methyl cyclohexyl acetate FR neocaspirene FL/FR octyl formate FL/FR passion fruit fragrance FR phenoxyethyl propionate FL/FR strawberry furanone butyrate FL/FR tropical thiazole FL/FR xanthoxylum fruit oil FR green 3,7- dimethyl-6-octenoic acid FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR galbanum specialty FR green note propionate FL/FR heptanal dimethyl acetal FL/FR (Z)-3- hexen-1-yl benzoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR hexyl hexanoate FL/FR hexyl phenyl acetate FL/FR marigold pot absolute FL/FR methyl octine carbonate FL/FR octanal diethyl acetal FL/FR 1- penten-3-ol FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR terpinyl propionate FL/FR thuja occidentalis leaf absolute FR herbal barosma betulina leaf oil FL/FR dimethyl benzyl carbinyl crotonate FL/FR geranium cyclohexane FR geranyl octanoate FL/FR lavender absolute bulgaria FL/FR linalyl formate FL/FR (E)-6- methyl-3-hepten-2-one FL/FR myrtle oil FL/FR myrtle oil morocco FL/FR nonisyl acetate FR 2- pentyl acetate FL/FR rose oil (rosa centifolia) morocco FL/FR viridiflorol FL/FR honey butyl phenyl acetate FL/FR methyl phenyl acetate FL/FR leathery leather cyclohexanol FR powdery dibenzyl ketone FL/FR spicy alpha- amyl cinnamyl alcohol FL/FR para- anisyl formate FL/FR cinnamyl propionate FL/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 elemi oil fractions FR iso eugenyl acetate FL/FR eugenyl isovalerate FL/FR myrcene FR myrtenal FL/FR (E)- propyl 2-furan acrylate FL/FR sulfurous buchu mercaptan FL/FR lychee mercaptan acetate FL/FR 4- methoxy-2-methyl butane thiol FL/FR passiflora acetate FL/FR S- tropical 2-thiobutyrate FL/FR 4- tropical oxathiane FL/FR tropical cis- galbanum oxathiane FL/FR hexyl 2-methyl-3-pentenoate FL/FR 3- nonen-4-olide FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR pina colada fragrance FR psidium guajava fruit extract FL/FR triflaige A (ZEON) FR tropical 3-thiobutyrate FL/FR waxy dihydrocitronellyl acetate FL/FR ethyl nonanoate FL/FR heptyl octanoate FL/FR winey butyl angelate FL/FR woody beta- caryophyllene alcohol acetate FL/FR kaempferia galanga rhizome oil FL/FR santalyl butyrate FL/FR spicy pentanone FL/FR vetiver oil fractions FR yeasty 2- octen-4-one FL/FR For Flavor No flavor group found for these benzyl methyl tiglate FL butyl angelate FL/FR butyl cinnamate FL/FR beta- caryophyllene alcohol acetate FL/FR (Z)-4- decen-1-yl acetate FL/FR dihydrocitronellyl acetate FL/FR dimethyl benzyl carbinyl crotonate FL/FR S-(2,5- dimethyl-3-furyl) ethane thioate FL ethyl 2-(methyl thio) acetate FL ethyl ortho-anisate FL/FR 5- ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one FL/FR eugenyl isovalerate FL/FR geranyl octanoate FL/FR geranyl valerate FL/FR 2- hexylidene cyclopentanone FL/FR methyl 2-(methyl thio) acetate FL (E)-6- methyl-3-hepten-2-one FL/FR myrtle oil morocco FL/FR neocaspirene FL/FR 3- nonen-4-olide FL/FR 2- phenethyl valerate FL/FR pinus sylvestris leaf absolute FL/FR S- prenyl thioisobutyrate FL S- prenyl thioisovalerate FL santalyl butyrate FL/FR sorbyl propionate FL styralyl isobutyrate FL/FR S- tropical 2-thiobutyrate FL/FR viridiflorol FL/FR allyl thiohexanoate FL hexyl 3-mercaptobutanoate FL acidic acidic 2- ethyl butyric acid FL/FR alliaceous tropical thiazole FL/FR anise ethyl para-anisate FL/FR anisic para- anisyl butyrate FL/FR aromatic para- cresyl acetate FL/FR balsamic ethyl cinnamate FL/FR phenethyl pivalate FL/FR iso propyl cinnamate FL/FR tolu balsam oil FL/FR bitter dibenzyl ketone FL/FR camphoreous kaempferia galanga rhizome oil FL/FR caramellic 5- ethyl-3,4,5,6-tetramethyl cyclohexen-2-one FL strawberry furanone acetate FL/FR cheesy 2- heptanone FL/FR methyl ketones FL citrus bergamot oil bergaptene reduced italy FL/FR styralyl propionate FL/FR cooling iso butyl salicylate FL/FR creamy 2,4- heptadienal FL triacetin FL dairy 2- pentyl acetate FL/FR earthy alpha- amyl cinnamyl acetate FL/FR ethereal 4- hexen-3-one FL fatty dimethyl octanol FL/FR (Z)-3- hexen-1-yl benzoate FL/FR 2,4- undecadienal FL floral cinnamyl propionate FL/FR citronellol FL/FR laevo- citronellol FL/FR citronellyl acetate FL/FR (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR citronellyl phenyl acetate FL/FR dimethyl benzyl carbinyl acetate FL/FR 3,7- dimethyl-6-octenoic acid FL/FR geraniol FL/FR geranium oil FL/FR geranium oil bourbon FL/FR geranyl acetone FL/FR geranyl isobutyrate FL/FR geranyl phenyl acetate FL/FR alpha- ionone FL/FR methyl citronellate FL/FR methyl phenyl acetate FL/FR muguet carbinol FL/FR neryl acetate FL/FR phenethyl propionate FL/FR rhodinol FL/FR rhodinyl acetate FL/FR rhodinyl butyrate FL/FR rose absolute (rosa centifolia) FL/FR rose absolute (rosa centifolia) morocco FL/FR rose oil (rosa centifolia) egypt FL/FR rose oil (rosa damascena) iran FL/FR rose oil (rosa damascena) russia FL/FR rose oil (rosa damascena) turkey FL/FR ylang ylang flower oil III FL/FR fruity allyl cyclohexyl propionate FL/FR benzyl butyrate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR iso butyl isobutyrate FL/FR butyl isobutyrate FL/FR citronellyl anthranilate FL/FR black currant bud concrete FL/FR ethyl isovalerate FL/FR (E)- ethyl tiglate FL/FR tropical fruit flavor FL geranyl butyrate FL/FR geranyl hexanoate FL/FR heliotropyl isobutyrate FL/FR 2,4- hexadien-1-ol FL hexyl 2-methyl-3-pentenoate FL/FR hexyl hexanoate FL/FR hexyl phenyl acetate FL/FR kiwi flavor FL lilac pentanol FL/FR linalyl cinnamate FL/FR lychee flavor FL 2- mercapto-4-heptanol FL 3- mercaptohexyl hexanoate FL papaya guava flavor FL passion fruit distillates FL phenethyl isovalerate FL/FR (E)- propyl 2-furan acrylate FL/FR iso propyl formate FL/FR rhodinyl isovalerate FL/FR rose butanoate FL/FR spicy pentanone FL/FR strawberry furanone butyrate FL/FR terpinyl cinnamate FL/FR 4- tropical oxathiane FL/FR iso valeraldehyde propylene glycol acetal FL/FR green (E)- citronellyl tiglate FL/FR ethyl (E,Z)-2,4-decadienoate FL/FR cis- galbanum oxathiane FL/FR green note propionate FL/FR heptanal dimethyl acetal FL/FR heptyl butyrate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR marigold pot absolute FL/FR methyl octine carbonate FL/FR octanal diethyl acetal FL/FR octyl formate FL/FR 1- penten-3-ol FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR (Z)- rose oxide FL/FR terpinyl propionate FL/FR herbal barosma betulina leaf oil FL/FR buchu oil fractions FL lavender absolute bulgaria FL/FR linalyl formate FL/FR rose oil (rosa centifolia) morocco FL/FR honey butyl phenyl acetate FL/FR phenethyl acetate FL/FR phenethyl isobutyrate FL/FR juicy lychee mercaptan acetate FL/FR minty myrtenal FL/FR spicy alpha- amyl cinnamyl alcohol FL/FR para- anisyl formate FL/FR para- anisyl methyl ketone FL/FR cassie absolute FL/FR cinnamyl cinnamate FL/FR iso eugenyl acetate FL/FR methyl cinnamate FL/FR myrtle oil FL/FR sulfurous buchu mercaptan FL/FR 4- methoxy-2-methyl butane thiol FL/FR methyl 2-(methyl thio) butyrate FL methyl thiomethyl butyrate FL tropical 3-thiobutyrate FL/FR tea red rooibos tea leaf distillates FL tropical alpha- amyl cinnamaldehyde FL/FR anacardium occidentale fruit puree FL 3- mercaptohexyl butyrate FL passiflora acetate FL/FR passiflora edulis fruit extract FL/FR passiflora edulis fruit water FL/FR psidium guajava fruit FL psidium guajava fruit extract FL/FR vegetable 2- octen-4-one FL/FR waxy ethyl nonanoate FL/FR geranyl propionate FL/FR heptyl octanoate FL/FR mimosa absolute FL/FR mimosa absolute france FL/FR mimosa absolute india FL/FR phenoxyethyl propionate FL/FR woody beta- damascenone FL/FR delta- damascone FL/FR   Potential Uses: FR apricot FR carnation   fixer FR jasmin FR peach FR pineapple FR plum FL plum greengage plum FR plum mirabelle plum FR rose FR rose red rose FR spice   Occurrence (nature, food, other):note   natural   Synonyms: iso butyric acid 3,7-dimethyl-7-octenyl ester iso butyric acid, 3,7-dimethyl-7-octenyl ester 3,7- dimethyl oct-7-enyl 2-methyl propanoate 3,7- dimethyl-6 or 7-octen-1-yl 2-methyl propanoate 3,7- dimethyl-6 or 7-octen-1-yl isobutyrate 3,7- dimethyl-7-octen-1-yl 2-methyl propionate 3,7- dimethyl-7-octen-1-yl 2-methylpropionate 3,7- dimethyl-7-octen-1-yl isobutyrate 3,7- dimethyl-7-octenyl 2-methyl propanoate 3,7- dimethyl-7-octenyl 2-methylpropanoate 3,7- dimethyloct-7-en-1-yl 2-methylpropanoate 3,7- dimethyloct-7-enyl 2-methylpropanoate 3,7- dimethyloct-7-enyl isobutyrate 2- methyl propanoic acid 3,7-dimethyl-7-octenyl ester   propanoic acid, 2-methyl-, 3,7-dimethyl-7-octen-1-yl ester   propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester   rhodinol isobutyrate   rhodinyl 2-methyl propanoate   rhodinyl 2-methylpropanoate   Articles:   None found yet. 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Notes: Flavouring ingredient