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alpha-pinene
General Material Information
| Preferred name | alpha-pinene |
| Trivial Name | (±)-α-Pinene |
| Short Description | DL-pin-2(3)-ene |
| Formula | C10 H16 |
| CAS Number | 80-56-8 |
| Deleted CAS Number | 2437-95-8 |
| FEMA Number | 2902 |
| Flavis Number | 1.004 |
| ECHA Number | 201-291-9 |
| FDA UNII | JPF3YI7O34 |
| Nikkaji Number | J3.210G |
| Beilstein Number | 3194807 |
| MDL | MFCD00001339 |
| COE Number | 2113 |
| xLogP3-AA | 2.80 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1329 alpha-pinene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 80-56-8 ; ALPHA-PINENE |
| 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 |
| 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 80-56-8 |
| Pubchem (cid): | 6654 |
| Pubchem (sid): | 134972323 |
| Flavornet: | 80-56-8 |
| 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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| UM BBD: | Search |
| KEGG (GenomeNet): | C09880 |
| HMDB (The Human Metabolome Database): | HMDB06525 |
| FooDB: | FDB014366 |
| Export Tariff Code: | 2902.19.0000 |
| 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 | 7.098 to 7.164 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.114 to 7.181 |
| Refractive Index | 1.463 to 1.467 @ 20 °C |
| Optical Rotation | -35 to -40 |
| Melting Point | -64 to -62°C @ 760 mm Hg |
| Boiling Point | 155 to 156°C @ 760 mm Hg |
| Boiling Point | 72 to 73°C @ 50 mm Hg |
| Vapor Pressure | 4.75 mmHg @ 25 °C |
| Flash Point TCC Value | 32.22 °C TCC |
| logP (o/w) | 4.83 |
| 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 |
| water, 2.49 mg/L @ 25 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| fresh, camphoreous, sweet, pine, earthy, woody, terpenic, cooling, herbal | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 10.00 % in dipropylene glycol. fresh camphor sweet pine earthy woody |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 10.00 %. Woody, piney and turpentine-like, with a slight cooling camphoraceous nuance and a fresh herbal lift |
| Flavor Type: Woody | |
| woody, pine, terpenic, camphoreous, herbal, spicy, tropical | |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 5.00 - 100.00 ppm. Intense woody, piney and terpy with camphoraceous and turpentine note. It has herbal, spicy and slightly tropical nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Coriander , Cumin oil replacer , Herbal , Labdanum , Lavender , Lemon , Litsea cubeba , Mango , Neroli , Nutmeg , Pepper , Pine , Rosemary , Thyme oil white replacer , Witch hazel , Woody , Ylang ylang |
| Flavoring purposes | Coriander , Litsea cubeba |
| Other purposes | Fir |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
| R 10 - Flammable. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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. S 60 - This material and its container must be disposed of as hazardous waste. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 3), H226 Aspiration hazard (Category 1), H304 Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Acute aquatic toxicity (Category 3), H402 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |    |
| Signal word | Warning |
| Hazard statement(s) | |
| H226 - Flammable liquid and vapour H304 - May be fatal if swallowed and enters airways H315 - Causes skin irritation H317 - May cause an allergic skin reaction H402 - Harmful to aquatic life | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233 - Keep container tightly closed. P240 - Ground/bond container and receiving equipment. P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment. P242 - Use only non-sparking tools. P243 - Take precautionary measures against static discharge. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P272 - Contaminated work clothing should not be allowed out of the workplace. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P310 - IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P331 - Do NOT induce vomiting. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 1 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] 3700 mg/kg Identity of compound not stated (Moreno, 1972n) intraperitoneal-mouse LD > 500 mg/kg "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 232, 1952. oral-rat LD50 3700 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. | |
| Inhalation Toxicity: | |
| inhalation-guinea pig LCLo 572 ug/m3 BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. inhalation-rat TCLo 625 ug/m3 LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978. | |
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 | |||
| IFRA Other Specification: | |||
| Recommendation for alpha-pinene usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1800.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 2444.00 (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. Update in publication number(s): 29 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 35.00000 | 160.00000 | |
| beverages(nonalcoholic): | 16.00000 | 54.00000 | |
| beverages(alcoholic): | 10.00000 | 100.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 175.00000 | 1300.00000 | |
| condiments / relishes: | 47.00000 | 150.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 13.00000 | 64.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 6.00000 | 12.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 253.00000 | 265.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 10.00000 | 20.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 31.00000 | 63.00000 | |
| 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 |
| Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). 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 |
| Safety and efficacy of eight compounds belonging to chemical group 31 (aliphatic and aromatic hydrocarbons) when used as flavourings for all animal species and categories View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):80-56-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6654 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2368 |
| WGK Germany:1 |
| 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene |
| Chemidplus:0000080568 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:DT7000000 for cas# 80-56-8 |