Articles:
| US Patents: | 7,927,643 - Compositions of oxo-terpene derivatives and process for preparing the same |
| US Patents: | Compositions of oxo-terpene derivatives and process for preparing the same |
methyl 3,7-dimethyl-6-octenoate
Notes:
Present in pepper (Piper nigrum) and lemon balm (Melissa officinalis). Flavouring ingredient
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 2270-60-2 Methyl Citronellate
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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): 13-40350 METHYL-3,7-DIMETHYL-6-OCTENOATE
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| CAS Number: | 2270-60-2 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 218-874-9 | |
| FDA UNII: | 6J2YGF6EUY | |
| Nikkaji Web: | J99.450B | |
| CoE Number: | 10781 | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 184.27880000 | |
| Formula: | C11 H20 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | R- or S-enantiomer not specified by CASrn in Register. | |
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: | 354 methyl 3,7-dimethyl-6-octenoate |
| DG SANTE Food Flavourings: | 09.517 methyl citronellate |
| FEMA Number: | 3361 methyl 3,7-dimethyl-6-octenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2270-60-2 ; METHYL 3,7-DIMETHYL-6-OCTENOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89700 to 0.90700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.464 to 7.547 |
| Refractive Index: | 1.43700 to 1.44300 @ 20.00 °C. |
| Boiling Point: | 216.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 78.00 °C. @ 3.00 mm Hg |
| Vapor Pressure: | 0.078000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 169.00 °F. TCC ( 76.11 °C. ) |
| logP (o/w): | 3.687 (est) |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| water, very slightly | |
| water, 17.56 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| floral dry weedy dusty waxy geranium fatty fruity winey | |
| Odor Description: at 10.00 % in dipropylene glycol. | floral dry weedy dusty waxy geranium fatty fruity winey Luebke, William tgsc, (2017) |
| sweet geranium floral waxy winey fruity | |
| Odor Description: at 1.00 %. | Sweet geranium floral and waxy, with winey and fruity nuances Mosciano, Gerard P&F 26, No. 2, 40, (2001) |
| Flavor Type: floral | |
| floral waxy tea bergamot rose winey weedy | |
| Taste Description: | floral waxy tea bergamot rose winey weedy Luebke, William tgsc, (2017) |
| floral rose bergamot geranium waxy soapy cognac winey | |
| Taste Description: at 1.00 - 25.00 ppm. | Floral with rosy bergamot and geranium notes, waxy and soapy, cognac and winey nuances Mosciano, Gerard P&F 26, No. 2, 40, (2001) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Methyl Citronellate |
| Kingchem Laboratories |
| METHYL CITRONELLATE
Odor: Wine-like, green, fruity, brandy-like |
| Penta International |
| METHYL-3,7-DIMETHYL-6-OCTENOATE |
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: | |
| 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 methyl citronellate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.13 (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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.00000 | |
| beverages(nonalcoholic): | - | 1.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 1.50000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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 | |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 2270-60-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61290 |
| National Institute of Allergy and Infectious Diseases: | Data |
| methyl 3,7-dimethyloct-6-enoate | |
| Chemidplus: | 0002270602 |
References:
| methyl 3,7-dimethyloct-6-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2270-60-2 |
| Pubchem (cid): | 61290 |
| Pubchem (sid): | 135017301 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB37225 |
| FooDB: | FDB016232 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| apricot | FR | |
| bergamot | FR | |
| citrus | FR | |
| cognac | FR | |
| pear | FR | |
| rose tea rose | FR | |
| wine | FR |
Occurrence (nature, food, other): note
| callitris columellaris wood oil australia @ 0.80% Data GC Search Trop Picture | |
| callitris glaucophylla wood oil australia @ 0.40% Data GC Search Trop Picture | |
| calytrix tetragona leaf oil Search Trop Picture | |
| lemon balm Search Trop Picture | |
| lemon balm shoot Search Trop Picture | |
| pepper black pepper seed Search Trop Picture | |
| tagete oil CO2 extract @ 0.39% Data GC Search Trop Picture |
Synonyms:
| citronellic acid methyl ester | |
| 3,7- | dimethyl-6-octenoic acid methyl ester |
| methyl 3,7-dimethyl oct-6-enoate | |
| methyl 3,7-dimethyl-6-octenoate | |
| methyl 3,7-dimethyloct-6-enoate | |
| methyl rhodinolate | |
| 6- | octenoic acid, 3,7-dimethyl-, methyl ester |