Articles:
butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
Notes:
Gives good body. Constit. of numerous plant spp. Flavouring agent
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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): 3915-83-1 Neryl Isovalerate
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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): 14-24500 NERYL ISOVALERATE
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W1490 Neryl Isovalerate
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| CAS Number: | 3915-83-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 223-478-4 | |
| FDA UNII: | 5RC970J93J | |
| Nikkaji Web: | J46.677H | |
| MDL: | MFCD00085361 | |
| CoE Number: | 508 | |
| XlogP3-AA: | 4.70 (est) | |
| Molecular Weight: | 238.37062000 | |
| Formula: | C15 H26 O2 | |
| NMR Predictor: | Predict (works with chrome 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 |
| JECFA Food Flavoring: | 76 neryl isovalerate |
| DG SANTE Food Flavourings: | 09.471 neryl isovalerate |
| FEMA Number: | 2778 neryl isovalerate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3915-83-1 ; NERYL ISOVALERATE |
| 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:
Organoleptic Properties:
| Odor Type: floral | |
| sweaty floral rose bergamot citrus fruity | |
| Odor Description: at 100.00 %. | sweaty floral rose bergamot citrus fruity |
| sour sweaty floral rose bergamot citrus fruity blueberry cranberry apple grape | |
| Odor Description: at 1.00 %. | Sour sweaty with floral rosy under notes, a bergamot citrus nuance and fruity notes of blueberry, cranberry, apple and grape Mosciano, Gerard P&F 26, No. 2, 40, (2001) |
| Flavor Type: fruity | |
| fruity floral citrus berry waxy blueberry fruity apple grape peach apricot | |
| Taste Description: at 5.00 - 20.00 ppm. | Fruity, rich floral and slightly citrus-like with berry waxy nuances of blueberry fruity notes of apple, grape, peach and apricot Mosciano, Gerard P&F 26, No. 2, 40, (2001) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| NERYL ISOVALERATE ≥97.0%, Kosher | |
| Odor Description: | A rich clary sage or bergamot odor Used in Oakmoss and oriental fragrances. |
| Taste Description: | herbal Used in fruit flavors for an herbaceous note. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Neryl Isovalerate |
| Penta International |
| NERYL ISOVALERATE |
| Synerzine |
| Neryl Isovalerate |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |
| 6 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 5000 mg/kg Used in fruit flavors for an herbaceous note. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Used in fruit flavors for an herbaceous note. | |
| 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 neryl isovalerate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.04 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: | - | 5.70000 | |
| beverages(nonalcoholic): | - | 0.97000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.60000 | |
| fruit ices: | - | 1.60000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| 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 | |
| Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1] View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 3915-83-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6429039 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate | |
| Chemidplus: | 0003915831 |
| RTECS: | RG5927710 for cas# 3915-83-1 |
References:
| [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3915-83-1 |
| Pubchem (cid): | 6429039 |
| Pubchem (sid): | 134984907 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB29350 |
| FooDB: | FDB000416 |
| Export Tariff Code: | 2915.60.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| almond | FR | |
| apple | FR | |
| bergamot | FR | |
| blueberry | FR | |
| clary sage oil replacer | FR | |
| cranberry | FR | |
| currant black currant | FR | |
| gardenia | FR | |
| grape | FR | |
| grapefruit | FR | |
| herbal | FR | |
| jonquil | FR | |
| lily of the valley | FR | |
| linden flower | FR | |
| loganberry | FR | |
| mango | FR | |
| moss | FR | |
| oriental | FR | |
| petitgrain | FR | |
| rose moss rose | FR | |
| rose tea rose | FR | |
| rose white rose | FR |
Occurrence (nature, food, other): note
| helichrysum italicum oil america @ 0.18% Data GC Search Trop Picture | |
| hop oil Search Trop Picture | |
| valerian root oil china @ 1.52% Data GC Search Trop Picture |
Synonyms:
| butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester | |
| butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester | |
| butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)- | |
| 3,7- | dimethyl-2-cis-6-octadien-1-yl isovalerate |
| (2Z)-3,7- | dimethyl-2,6-octadien-1-ol isovalerate |
| (Z)-3,7- | dimethyl-2,6-octadien-1-yl 3-methyl butanoate |
| cis-3,7- | dimethyl-2,6-octadien-1-yl 3-methyl butanoate |
| (Z)-3,7- | dimethyl-2,6-octadien-1-yl isopentanoate |
| cis-3,7- | dimethyl-2,6-octadien-1-yl isopentanoate |
| (Z)-3,7- | dimethyl-2,6-octadien-1-yl isovalerate |
| cis-3,7- | dimethyl-2,6-octadien-1-yl isovalerate |
| (2Z)-3,7- | dimethylocta-2,6-dien-1-yl 3-methylbutanoate |
| [(2Z)-3,7- | dimethylocta-2,6-dienyl] 3-methylbutanoate |
| (Z)- | geranyl isovalerate |
| neryl 3-methyl butanoate | |
| neryl 3-methylbutyrate | |
| neryl beta-methyl butyrate | |
| (Z)- | neryl isovalerate |
| cis- | neryl isovalerate |
| neryl isovalerianate | |
| 2,6- | octadien-1-ol, 3,7-dimethyl-, isovalerate, (Z)- |
| (Z)-iso | valeric acid 3,7-dimethyl-2,6-octadienyl ester |
| iso | valeric acid neryl ester |
| iso | valeric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)- |