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alpha-phellandrene
General Material Information
| Preferred name | alpha-phellandrene |
| Trivial Name | alpha-Phellandrene |
| Short Description | p-mentha-1,5-diene |
| Formula | C10 H16 |
| CAS Number | 99-83-2 |
| Deleted CAS Number | 1330-17-2 |
| FEMA Number | 2856 |
| Flavis Number | 1.006 |
| ECHA Number | 202-792-5 |
| FDA UNII | 49JV13XE39 |
| Nikkaji Number | J55.716A |
| Beilstein Number | 1280394 |
| MDL | MFCD00040419 |
| COE Number | 2117 |
| xLogP3-AA | 3.20 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1328 alpha-phellandrene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 99-83-2 ; ALPHA-PHELLANDRENE |
| 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
| Leffingwell: | Chirality or Article |
| 2-methyl-5-propan-2-ylcyclohexa-1,3-diene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 99-83-2 |
| Pubchem (cid): | 7460 |
| Pubchem (sid): | 134972059 |
| Flavornet: | 99-83-2 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C09875 |
| HMDB (The Human Metabolome Database): | HMDB35850 |
| FooDB: | FDB014630 |
| Export Tariff Code: | 2902.19.1000 |
| 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 | 136.23751831055 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.948 to 7.198 |
| Refractive Index | 1.471 to 1.477 @ 20 °C |
| Optical Rotation | -80 to -120 |
| Boiling Point | 175 to 176°C @ 760 mm Hg |
| Boiling Point | 93 to 94°C @ 50 mm Hg |
| Vapor Pressure | 1.856 mmHg @ 25 °C |
| Flash Point TCC Value | 47.22 °C TCC |
| logP (o/w) | 4.408 est |
| Solubility | |
| alcohol | Yes |
| water, 2.862 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic fine fragrance | Good |
| antiperspirant | Good |
| fabric softener | Good |
| liquid detergent | Good |
| soap | Good |
| toiletry application | Good |
| perborate powder detergent | Fair |
| hypochlorite bleach | Poor |
Organoleptic Properties
| Odor Type: Terpenic | |
| citrus, herbal, terpenic, green, woody, pepper black pepper | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 10.00 % in dipropylene glycol. citrus herbal terpene green woody peppery |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | Citrus, terpenic, slightly green, black pepper-like |
| Flavor Type: Terpenic | |
| terpenic, citrus, lime, fresh, green | |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | At 20.00 ppm. Terpenic, citrus lime with a fresh green note |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Angelica , Anise , Balsam , Cinnamon , Citrus , Fennel , Geranium , Herbal , Mace , Nutmeg , Orange blossom , Peach , Pepper , Pine , Sassafras , Spice , Woody |
| Flavoring purposes | Angelica , Carrot , Tropical |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] > 5700 mg/kg Submitted study is on dermal toxicity. (Moreno, 1972k) oral-rat LD50 [sex: M,F] 1.87 ml/kg Substance mixed with acacia. 6 animals per dose group (Brownlee, 1940) oral-rat LD50 5700 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 843, 1978. | |
| 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 alpha-phellandrene usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 79.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 410.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: | - | 41.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 28.00000 | |
| fruit ices: | - | 28.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 130.00000 | |
| 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): |
| Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31 View page or View pdf |
| Scientific Opinion on the safety and efficacy of aliphatic and aromatic hydrocarbons (chemical group 31) when used as flavourings for all animal species View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):99-83-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7460 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2319 |
| WGK Germany:3 |
| 2-methyl-5-propan-2-ylcyclohexa-1,3-diene |
| Chemidplus:0000099832 |
| RTECS:OS8080000 for cas# 99-83-2 |