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terpinyl propionate
General Material Information
| Preferred name | terpinyl propionate |
| Trivial Name | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl propanoate |
| Short Description | p-menth-1-en-8-ol propionate |
| Formula | C13 H22 O2 |
| CAS Number | 80-27-3 |
| CAS Number | 62395-45-3 |
| Deleted CAS Number | 1334-92-5 |
| FEMA Number | 3053 |
| ECHA Number | 201-266-2 |
| FDA UNII | 7JE9M43B3K |
| Nikkaji Number | J141.005I |
| MDL | MFCD00213794 |
| COE Number | 423 |
| xLogP3-AA | 2.90 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 369 terpinyl propionate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 80-27-3 ; TERPINYL PROPIONATE |
| 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
| 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 80-27-3 |
| Pubchem (cid): | 62328 |
| Pubchem (sid): | 135019591 |
| Pherobase: | View |
| 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 62395-45-3 |
| Pubchem (cid): | 62328 |
| Pubchem (sid): | 135069851 |
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 |
| HMDB (The Human Metabolome Database): | HMDB32052 |
| FooDB: | FDB008757 |
| Export Tariff Code: | 2915.50.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 210.31674194336 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.88 to 7.922 |
| Refractive Index | 1.462 to 1.468 @ 20 °C |
| Boiling Point | 258 to 259°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.013 mmHg @ 25 °C |
| Flash Point TCC Value | 86.11 °C TCC |
| logP (o/w) | 4.245 est |
| 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 |
| fixed oils | Yes |
| glycerin | Yes |
| water, 2.913 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| bath foam | Unspecified |
| cream | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| herbal, green, woody old wood, citrus, geranium, tropical, woody, sweet | |
| Odor strength | medium |
| Substantivity | 32 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 100.00 %. herbal green old wood citrus geranium tropical |
| Mosciano, Gerard P&F 16, No. 3, 79, (1991) | Green, woody, citrus, with sweet tropical nuances |
| Flavor Type: Green | |
| green, woody, citrus, bergamot, balsamic, herbal, fir needle, sweet, fruity, tropical | |
| Luebke, William tgsc, (1984) | Green woody citrus bergamot balsamic herbal fir needle |
| Mosciano, Gerard P&F 16, No. 3, 79, (1991) | At 20.00 ppm. Sweet, green, with fruity and tropical nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Bergamot , Celery , Citrus , Cologne , Cucumber , Gardenia , Grape , Grapefruit , Green , Guava , Herbal , Lavender , Mango , Pear , Pine , Rose , Woody |
| Flavoring purposes | Tropical |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Serious eye damage/eye irritation (Category 2A), H320 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation H320 - Causes eye irritation H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Moreno, 1973q) | |
| Dermal Toxicity: | |
| Not determined | |
| 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 terpinyl propionate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (μg/capita/day) | ||
| 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: | 6.00000 | 10.00000 | |
| beverages(nonalcoholic): | - | 1.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.60000 | 3.00000 | |
| fruit ices: | 2.60000 | 3.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 6.00000 | 10.00000 | |
| 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 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf |
| Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):80-27-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62328 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:2 |
| 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl propanoate |
| Chemidplus:0000080273 |
| 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl propanoate |
| Chemidplus:062395453 |