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neryl acetate
General Material Information
| Preferred name | neryl acetate |
| Trivial Name | Neryl acetate |
| Short Description | acetic acid neryl ester |
| Formula | C12 H20 O2 |
| CAS Number | 141-12-8 |
| Deleted CAS Number | 130396-85-9 |
| FEMA Number | 2773 |
| FDA UNII | OF82IJU18H |
| Nikkaji Number | J102.179F |
| Beilstein Number | 1722814 |
| MDL | MFCD00063205 |
| COE Number | 2061 |
| xLogP3-AA | 3.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 59 neryl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 141-12-8 ; NERYL ACETATE |
| 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] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 141-12-8 |
| Pubchem (cid): | 1549025 |
| Pubchem (sid): | 134975248 |
| Flavornet: | 141-12-8 |
| 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 |
| KEGG (GenomeNet): | C09861 |
| HMDB (The Human Metabolome Database): | HMDB35157 |
| FooDB: | FDB014946 |
| Export Tariff Code: | 2915.39.9500 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 196.28979492188 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.531 to 7.605 |
| Refractive Index | 1.458 to 1.464 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.026 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 99 °C TCC |
| logP (o/w) | 3.98 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| paraffin oil | Yes |
| water, 18.24 mg/L @ 25 °C (est) | Yes |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, rose, soapy, citrus, dewy, pear, sweet, grapefruit, fruity, tropical | |
| Odor strength | medium |
| Substantivity | 52 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 100.00 %. floral rose soapy citrus dewy pear |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | Floral, rosy, sweet, soapy, citrus, grapefruit and fruity with a tropical nuance |
| Flavor Type: Floral | |
| floral, rose, soapy, fruity, pear, tropical | |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | At 10.00 ppm. Floral, rosy, soapy, fruity, pear and tropical |
| Can be used in raspberry and other flavors that need a fresh floral note. | Floral |
| General comment | Floral, rose, raspberry-like |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple, Apple blossom, Apricot, Bergamot, Blackberry, Citrus, Clary sage oil replacer, Grapefruit, Herbal, Hinoki oil replacer, Jasmin, Lavender, Lemon, Lilac, Lily of the valley, Magnolia, Neroli, Orange, Orange blossom, Papaya, Peach, Pear, Peony, Petitgrain lemon petitgrain, Raspberry, Rose, Tea green tea, Tuberose |
| Flavoring purposes | Petitgrain lemon petitgrain, Tropical |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 10 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| gavage-rat LD50 [sex: M/F] 4550 mg/kg LD50 > 5 ml/kg (Levenstein & Wolven, 1972a) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 625, 1976. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 625, 1976. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for neryl acetate usage levels up to: | |||
| 20.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 150.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 63.00 (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: | - | 15.00000 | |
| beverages(nonalcoholic): | - | 1.30000 | |
| 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: | - | 5.10000 | |
| 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 |
| EPA Substance Registry Services (TSCA):141-12-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :1549025 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate |
| Chemidplus:0000141128 |
| RTECS:RG5921000 for cas# 141-12-8 |