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beta-pinene
General Material Information
| Preferred name | beta-pinene |
| Trivial Name | β-Pinene |
| Short Description | 2,2,6-trimethyl bicyclo(3.1.1)hept-2-ene |
| Formula | C10 H16 |
| CAS Number | 127-91-3 |
| Deleted CAS Number | 23089-32-9 |
| FEMA Number | 2903 |
| Flavis Number | 1.003 |
| ECHA Number | 204-872-5 |
| FDA UNII | 4MS8VHZ1HJ |
| Nikkaji Number | J2.017F |
| COE Number | 2114 |
| xLogP3-AA | 3.10 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1330 beta-pinene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 127-91-3 ; BETA-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
| 7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 127-91-3 |
| Pubchem (cid): | 14896 |
| Pubchem (sid): | 134974399 |
| Flavornet: | 127-91-3 |
| 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 |
| KEGG (GenomeNet): | C09882 |
| HMDB (The Human Metabolome Database): | HMDB36560 |
| FooDB: | FDB015464 |
| Export Tariff Code: | 2902.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: most commonly available as the l-isomer | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.23751831055 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.214 to 7.248 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.198 to 7.264 |
| Refractive Index | 1.477 to 1.481 @ 20 °C |
| Boiling Point | 163 to 166°C @ 760 mm Hg |
| Vapor Pressure | 2.93 mmHg @ 25 °C |
| Flash Point TCC Value | 35 °C TCC |
| logP (o/w) | 4.16 |
| Solubility | |
| alcohol | Yes |
| water, 7.061 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| dry, woody, resinous, pine, hay, green, eucalyptus, camphoreous, cooling, terpenic, fresh, minty, spicy, peppery, nutmeg | |
| Odor strength | high , 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. dry woody resinous pine hay green eucalyptus camphoreous |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 10.00 %. Cooling, woody, piney and turpentine-like with a fresh minty, eucalyptus and camphoraceous note with a spicy peppery and nutmeg nuance |
| Flavor Type: Pine | |
| pine, terpenic, woody, resinous, minty, camphoreous, balsamic, spicy, fresh | |
| Luebke, William tgsc, (1985) | Pine terpenic woody resinous minty camphoreous balsamic spicy |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 15.00 - 100.00 ppm. Fresh, piney and woody, terpy and resinous with a slight minty, camphoraceous with a spicy nuance |
| General comment | Terpene |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Balsam , Citrus , Cologne , Coriander , Cumin oil replacer , Earth , Green , Hay new mown hay , Herbal , Hyssop , Juniper berry , Lavender , Lemon , Lime , Mint , Nutmeg , Orange , Pepper , Petitgrain , Pine , Pine forest , Wintergreen |
| Flavoring purposes | Candy , Carrot , Coriander , Cream ice cream , Hyssop |
| Other purposes | Dry , Fir , Resin |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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 Acute toxicity, Oral (Category 4), H302; Acute toxicity, Inhalation (Category 4), H332 Aspiration hazard (Category 1), H304 Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |    |
| Signal word | Warning |
| Hazard statement(s) | |
| H226 - Flammable liquid and vapour H302 + H332 - Harmful if swallowed or if inhaled H304 - May be fatal if swallowed and enters airways H315 - Causes skin irritation H317 - May cause an allergic skin reaction H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| 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. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. 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. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P330 - Rinse mouth. P331 - Do NOT induce vomiting. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: 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 + P233 - Store in a well-ventilated place. Keep container tightly closed. 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg One dose tested. (Moreno, 1975q) oral-rat LD50 4700 mg/kg BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 16, Pg. 859, 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 beta-pinene usage levels up to: | |||
| 12.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1300.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 759.00 (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: | 48.00000 | 600.00000 | |
| beverages(nonalcoholic): | 11.00000 | 21.00000 | |
| beverages(alcoholic): | 10.00000 | 50.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 17.00000 | 23.00000 | |
| condiments / relishes: | 20.00000 | 40.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 20.00000 | 64.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 10.00000 | 15.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 48.00000 | 600.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 9.00000 | 18.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 20.00000 | 74.00000 | |
| 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):127-91-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :14896 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2368 |
| WGK Germany:3 |
| 7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane |
| Chemidplus:0000127913 |