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neryl isovalerate
General Material Information
| Preferred name | neryl isovalerate |
| Trivial Name | Neryl isovalerate |
| Short Description | butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)- |
| Formula | C15 H26 O2 |
| CAS Number | 3915-83-1 |
| FEMA Number | 2778 |
| Flavis Number | 9.471 |
| ECHA Number | 223-478-4 |
| FDA UNII | 5RC970J93J |
| Nikkaji Number | J46.677H |
| MDL | MFCD00085361 |
| COE Number | 508 |
| xLogP3-AA | 4.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 76 neryl isovalerate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3915-83-1 ; NERYL ISOVALERATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & 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 |
Suppliers
| BOC Sciences | Penta International |
| Synerzine | Penta International Corporation |
| Synerzine, Inc. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 238.37062072754 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.347 to 7.431 |
| Refractive Index | 1.453 to 1.463 @ 20 °C |
| Boiling Point | 237 to 239°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 5.514 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 0.2633 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| sweaty, floral, rose, bergamot, citrus, fruity, sour, blueberry, cranberry, apple, grape | |
| General comment | At 100.00 %. sweaty floral rose bergamot citrus fruity |
| Mosciano, Gerard P&F 26, No. 2, 40, (2001) | At 1.00 %. Sour sweaty with floral rosy under notes, a bergamot citrus nuance and fruity notes of blueberry, cranberry, apple and grape |
| Flavor Type: Fruity | |
| fruity, floral, citrus, berry, waxy, blueberry, apple, grape, peach, apricot | |
| Mosciano, Gerard P&F 26, No. 2, 40, (2001) | 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 |
| Used in fruit flavors for an herbaceous note. | Herbal |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Almond, Apple, Bergamot, Blueberry, Clary sage oil replacer, Cranberry, Currant black currant, Gardenia, Grape, Grapefruit, Herbal, Jonquil, Lily of the valley, Linden flower, Loganberry, Mango, Moss, Oriental, Petitgrain, Rose moss rose, Rose tea rose, Rose white rose |
| Cosmetic purposes | Perfuming agents |
Safety Information
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 |