Articles:
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3,7-dimethyl-7-octen-1-yl isobutyrate
Notes:
Flavouring ingredient
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 18-22500 RHODINYL ISOBUTYRATE
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| Fragrance Demo Formulas | ||
| 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 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) |
| 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
Potential Uses:
| apricot | FR | |
| carnation | FR | |
| fixer | ||
| jasmin | FR | |
| peach | FR | |
| pineapple | FR | |
| plum | FR | |
| plum greengage plum | FL | |
| plum mirabelle plum | FR | |
| rose | FR | |
| rose red rose | FR | |
| spice | FR |
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 |