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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 |