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neryl isobutyrate
General Material Information
| Preferred name | neryl isobutyrate |
| Trivial Name | Neryl isobutyrate |
| Short Description | 3,7-dimethyl-2,6-octadienyl 2-methylpropanoate, (Z)- |
| Formula | C14 H24 O2 |
| CAS Number | 2345-24-6 |
| FEMA Number | 2775 |
| Flavis Number | 9.424 |
| ECHA Number | 219-061-1 |
| FDA UNII | M9941BHL2O |
| Nikkaji Number | J213.201J |
| MDL | MFCD00151390 |
| COE Number | 299 |
| xLogP3-AA | 4.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 73 neryl isobutyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2345-24-6 ; NERYL ISOBUTYRATE |
| 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] 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2345-24-6 |
| Pubchem (cid): | 5365991 |
| Pubchem (sid): | 135017448 |
| Pherobase: | View |
| Publications by PubMed | |
| Analysis of the essential oil from the roots of Eupatorium cannabinum subsp. corsicum (L.) by GC, GC-MS and 13C-NMR. | |
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): | HMDB38260 |
| FooDB: | FDB017555 |
| Export Tariff Code: | 2915.60.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 224.34367370605 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.381 to 7.464 |
| Refractive Index | 1.452 to 1.462 @ 20 °C |
| Boiling Point | 229 to 232°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 4.983 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, very slightly | Yes |
| water, 0.8235 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, fresh, fruity, raspberry, strawberry, green, floral, tutti frutti, pear, citrus, melon | |
| Odor strength | medium |
| Substantivity | 96 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. sweet fresh fruity raspberry strawberry green |
| Mosciano, Gerard P&F 18, No. 2, 38, (1993) | Fruity, sweet, green, floral, tutti-frutti, pear, citrus with a melon nuance |
| Flavor Type: Fruity | |
| juicy, fruity, juicy fruit, green, sweet, melon, waxy | |
| Mosciano, Gerard P&F 18, No. 2, 38, (1993) | At 15.00 ppm. Juicy and fruity, green, sweet, melon and waxy |
| Used in berry and plum flavors. | Juicy fruity |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Berry , Blackberry , Blueberry , Champaca , Citrus , Honeysuckle , Huckleberry , Lilac , Lily , Melon , Mulberry , Neroli , Pear , Floral , Plum , Raspberry , Rose , Strawberry , Valerian , Wallflower , Ylang ylang |
| Flavoring purposes | Tropical , Valerian |
| Other purposes | Modifier |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M] > 5000 mg/kg (Moreno, 1980d) oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 391, 1988. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 391, 1988. | |
| 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 isobutyrate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.70 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.40 (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: | - | 5.40000 | |
| beverages(nonalcoholic): | - | 1.20000 | |
| 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: | - | - | |
| 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 |
| 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 |
| Safety and efficacy of a,ß-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters belonging to chemical group 3 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2345-24-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5365991 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate |
| Chemidplus:0002345246 |
| RTECS:UA2468500 for cas# 2345-24-6 |