| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 99-87-6 |
| ECHA EC Number: | 202-796-7 |
| FDA UNII: | 1G1C8T1N7Q |
| CoE Number: | 620 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | para-cymene |
| InChI : | InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| Std.InChI: | InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey : | HFPZCAJZSCWRBC-UHFFFAOYAD |
| Std.InChIKey: | HFPZCAJZSCWRBC-UHFFFAOYSA-N |
| SMILES : | CC1=CC=C(C=C1)C(C)C |
| MDL: | MFCD00008893 |
| Molar Refractivity : | 45.26 ± 0.3 cm3 (est) |
| Parachor : | 359.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.492 ± 0.02 (est) |
| Surface Tension : | 28.5 ± 3.0 dyne/cm (est) |
| Density : | 0.861 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.94 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1325 p-cymene |
| DG SANTE Food Flavourings: | 01.002 1-isopropyl-4-methylbenzene |
| FEMA Number: | 2356 p-cymene |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 99-87-6 ; P-CYMENE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.85300 to 0.85500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.098 to 7.114 |
| Refractive Index: | 1.48900 to 1.49100 @ 20.00 °C. |
| Melting Point: | -68.90 °C. @ 760.00 mm Hg |
| Boiling Point: | 176.00 to 178.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 91.00 to 92.00 °C. @ 50.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 1.460000 mmHg @ 25.00 °C. |
| Vapor Density: | 4.62 ( Air = 1 ) |
| Flash Point: | 117.00 °F. TCC ( 47.22 °C. ) |
| logP (o/w): | 4.100 |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| water, 27.88 mg/L @ 25 °C (est) | |
| water, 23.4 mg/L @ 25 °C (exp) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | fragrance |
| 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: EYEGASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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: | - | - | |
| 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 |
| 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 |
| (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+% | |
| achillea tenuifolia lam. flower oil iran @ 5.40% Data GC Search Trop Picture | |
| agathosma crenulata oil @ 0.41% Data GC Search Trop Picture | |
| ajowan Search Trop Picture | |
| ajowan seed oil turkey @ 15.57% Data GC Search Trop Picture | |
| allspice fruit Search Trop Picture | |
| allspice leaf Search Trop Picture | |
| allspice leaf oil Search Trop Picture | |
| allspice seed Search Trop Picture | |
| alpinia galanga oil @ 0.80% Data GC Search Trop Picture | |
| amomum testaceum ridl. fruit oil malaysia @ 1.50% Data GC Search Trop Picture | |
| angelica Search Trop Picture | |
| angelica root oil @ 6.39% Data GC Search Trop Picture | |
| angelica seed oil @ 1.10% Data GC Search Trop Picture | |
| angelica seed oil CO2 extract @ 0.80% Data GC Search Trop Picture | |
| anise seed oil star china @ 0.29% Data GC Search Trop Picture | |
| anise star anise fruit Search Trop Picture | |
| anise star anise seed Search Trop Picture | |
| apricot fruit Search Trop Picture | |
| apricot leaf Search Trop Picture | |
| armoise oil morocco @ 0.1% Data GC Search Trop Picture | |
| artemisia campestris spp. glutinosa flower oil italy @ 0.10% Data GC Search Trop Picture | |
| artemisia deserti krasch. oil iran @ 1.20% Data GC Search Trop Picture | |
| artemisia diffusa krasch. ex poljak oil iran @ 1.00% Data GC Search Trop Picture | |
| artemisia gypsacea krasch. oil iran @ 2.80% Data GC Search Trop Picture | |
| artemisia variabilis flower oil italy @ 0.40% Data GC Search Trop Picture | |
| ayou wood oil @ trace% Data GC Search Trop Picture | |
| basil leaf oil Search Trop Picture | |
| basil oil Search Trop Picture | |
| basil oil sweet poland @ 0.02% Data GC Search Trop Picture | |
| basil oil var. glabratum turkey @ trace% Data GC Search Trop Picture | |
| basil plant Search Trop Picture | |
| basil shoot oil Search Trop Picture | |
| basil tissue culture Search Trop Picture | |
| bay laurel leaf Search Trop Picture | |
| bay laurel leaf oil Search Trop Picture | |
| bay leaf oil @ <0.01-0.97% Data GC Search Trop Picture | |
| bay leaf oil anise @ 0.1% Data GC Search Trop Picture | |
| bay leaf oil clove @ 0.3% Data GC Search Trop Picture | |
| bay leaf oil lemon @ 0.5% Data GC Search Trop Picture | |
| bergamot mint oil @ 0.0-0.1% Data GC Search Trop Picture | |
| bergamot oil @ 0.010-0.893% Data GC Search Trop Picture | |
| bergamot oil @ 3.5% Data GC Search Trop Picture | |
| bergamot oil turkey @ 0.35% Data GC Search Trop Picture | |
| bergamot plant wild Search Trop Picture | |
| blackberry fruit Search PMC Picture | |
| blueberry fruit Search Trop Picture | |
| bois de rose leaf oil brazil @ trace-0.03% Data GC Search Trop Picture | |
| bois de rose oil brazil @ trace-0.03% Data GC Search Trop Picture | |
| boldo leaf Search Trop Picture | |
| boldo leaf oil italy @ 9.51% Data GC Search Trop Picture | |
| boldus leaf oil chile @ 8.63% Data GC Search Trop Picture | |
| buchu leaf oil @ 0.16% Data GC Search Trop Picture | |
| cabocla flower oil brazil @ 9.10% Data GC Search Trop Picture | |
| cajuput oil @ 0.6% Data GC Search Trop Picture | |
| cajuput oil vietnam @ 6.8% Data GC Search Trop Picture | |
| calamus leaf oil @ 0.04% Data GC Search Trop Picture | |
| camel grass oil @ 0.10% Data GC Search Trop Picture | |
| caraway seed Search Trop Picture | |
| caraway seed oil @ trace-0.01% Data GC Search Trop Picture | |
| cardamom fruit Search Trop Picture | |
| cardamom fruit oil |
| benzene, 1-isopropyl-4-methyl- | |
| benzene, 1-methyl-4-(1-methylethyl)- | |
| camphogen | |
| cumene, p-methyl- | |
| p- | cumidine |
| 4- | cymene |
| p- | cymene |
| para- | cymene 70% (non citrus) natural |
| p- | cymene FCC |
| p- | cymene natural |
| para- | cymene P & F |
| cymene para FCC | |
| para- | cymene PF |
| cymene, p- | |
| p- | cymol |
| para- | cymol |
| dolcymene | |
| p- | mentha-1,3,5-triene |
| p- | methyl cumene |
| para- | methyl cumene |
| 4- | methyl isopropyl benzene |
| 4- | methyl isopropylbenzene |
| 4- | methyl-1-(methylethyl)benzene |
| 4- | methyl-1-(propan-2-yl)benzene |
| 4- | methyl-1-isopropyl benzene |
| 4- | methyl-1-isopropylbenzene |
| 1- | methyl-4-(1-methyl ethyl) benzene |
| 1- | methyl-4-(1-methylethyl)-benzene |
| methyl-4-(1-methylethyl)benzene | |
| 1- | methyl-4-(1-methylethyl)benzene |
| 1- | methyl-4-(propan-2-yl)benzene |
| 1- | methyl-4-isopropyl benzene |
| 1- | methyl-4-isopropylbenzene |
| 1- | methyl-4-propan-2-ylbenzene |
| p- | methyl-cumene |
| p- | methylcumene |
| para- | methylcumene |
| 4- | methylisopropylbenzene |
| p- | methylisopropylbenzene |
| paracymene | |
| paracymol | |
| p-iso | propyl methyl benzene |
| para-iso | propyl methyl benzene |
| 4-iso | propyl toluene |
| p-iso | propyl toluene |
| para-iso | propyl toluene |
| 4-iso | propyl-1-methylbenzene |
| 1-iso | propyl-4-methyl benzene |
| 1-iso | propyl-4-methyl-benzene |
| 1-iso | propyl-4-methylbenzene |
| 1-iso | propyl-4-methylbenzol |
| p-iso | propylmethylbenzene |
| para-iso | propylmethylbenzene |
| 4-iso | propyltoluene |
| p-iso | propyltoluene |
| para-iso | propyltoluene |
