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para-cymene
General Material Information
| Preferred name | para-cymene |
| Trivial Name | p-Cymene |
| Short Description | 4-methyl-1-isopropylbenzene |
| Formula | C10 H14 |
| CAS Number | 99-87-6 |
| FEMA Number | 2356 |
| ECHA Number | 202-796-7 |
| FDA UNII | 1G1C8T1N7Q |
| Nikkaji Number | J11.621A |
| Beilstein Number | 1903377 |
| MDL | MFCD00008893 |
| COE Number | 620 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1325 p-cymene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 99-87-6 ; P-CYMENE |
| 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
| 1-methyl-4-propan-2-ylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 99-87-6 |
| Pubchem (cid): | 7463 |
| Pubchem (sid): | 134972062 |
| Flavornet: | 99-87-6 |
| 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 |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C06575 |
| HMDB (The Human Metabolome Database): | HMDB05805 |
| FooDB: | FDB017358 |
| Export Tariff Code: | 2902.90.9000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grade: technical cymene •grades of purity: 95+% | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 134.22157287598 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.098 to 7.114 |
| Refractive Index | 1.489 to 1.491 @ 20 °C |
| Boiling Point | 176 to 178°C @ 760 mm Hg |
| Boiling Point | 91 to 92°C @ 50 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 1.46 mmHg @ 25 °C |
| Vapor Density | 4.62 |
| Flash Point TCC Value | 47.22 °C TCC |
| logP (o/w) | 4.1 |
| Shelf life | 12 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 |
| water, 27.88 mg/L @ 25 °C (est) | Yes |
| water, 23.4 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Terpenic | |
| fresh, citrus, terpenic, woody, spicy, chemical, lemon, cumin, origanum, cilantro | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | < 2 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 1.00 % in dipropylene glycol. fresh citrus terpene woody spice |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 1.00 % in ethyl alcohol. Harsh chemical, woody and terpy-like with an oxidized citrus lemon note. It has spicy nuances reminiscent of cumin, oregano and cilantro |
| VCF-online.nl | Citrus, fresh, fruit, gasoline, lemon, solvent, spice, wood |
| Flavor Type: Terpenic | |
| terpenic, rancid, woody, citrus, spicy, pepper bell pepper, origanum | |
| Mosciano, Gerard P&F 25, No. 6, 26, (2000) | At 1.00 - 10.00 ppm. Terpy and rancid with slightly woody oxidized citrus notes. It has spice nuances of green pepper and oregano |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Basil oil replacer , Berry , Blackberry , Blueberry , Butter , Camphor tree bark , Caraway seed , Celery , Cilantro , Cinnamon , Coriander , Cranberry , Croton eluteria bark , Cumin oil replacer , Currant black currant , Cypress oil replacer , Eucalyptus oil replacer , Grapefruit , Guava , Lemon , Mandarin , Nutmeg , Orange , Oregano , Papaya , Pineapple , Tangerine , Thyme oil white replacer |
| Flavoring purposes | Camphor tree bark , Caraway seed , Carrot , Cilantro , Coriander , Croton eluteria bark , Tomato |
| Other purposes | Boldus oil replacer |
| Cosmetic purposes | Fragrance |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 27 - Take off immediately all contaminated clothing. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 3), H226 Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Acute aquatic toxicity (Category 3), H402 Chronic aquatic toxicity (Category 3), H412 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H226 - Flammable liquid and vapour H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation H402 - Harmful to aquatic life H412 - Harmful to aquatic life with long lasting effects | |
| 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. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. 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. 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. 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4750 mg/kg SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| 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 para-cymene usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 926.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 472.00 (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: | - | 7.00000 | |
| beverages(nonalcoholic): | - | 3.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 250.00000 | |
| condiments / relishes: | 10.00000 | 130.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.30000 | |
| fruit ices: | - | 5.30000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 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 |
| Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009) 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 |
| Review of substances/agents that have direct beneficial effect on the environment: mode of action and assessment of efficacy View page or View pdf |
| Conclusion on the peer review of the pesticide risk assessment of the active substance terpenoid blend QRD-460 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 |
| NIOSH International Chemical Safety Cards:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):99-87-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7463 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2046 |
| WGK Germany:2 |
| 1-methyl-4-propan-2-ylbenzene |
| Chemidplus:0000099876 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:99-87-6 |