P-CYMENE

p-Cymene is a versatile aromatic hydrocarbon commonly used as a solvent, fragrance ingredient, and intermediate in organic synthesis.
p-Cymene's most important isomer, p-Cymene, is widely utilized in specialty chemicals, flavor and fragrance formulations, and fine chemical production.
p-Cymene is also valuable as a starting material for the synthesis of aromatic derivatives used in industrial and research applications.

CAS Number: 99-87-6
EC Number: 202-796-7
Molecular Formula: C10H14
Molecular Weight: 134.22

Synonyms: p-Cymene, 4-Isopropyltoluene, 99-87-6, p-Isopropyltoluene, Dolcymene, 1-Isopropyl-4-methylbenzene, p-Cymol, Para-cymene, Camphogen, Paracymene, p-Methylcumene, 4-Cymene, 2-p-Tolylpropane, Cymol, Benzene, 1-methyl-4-(1-methylethyl)-, p-Cimene, 1-Methyl-4-isopropylbenzene, p-Methylisopropylbenzene, Paracymol, 4-Isopropyl-1-methylbenzene, 4-Methylisopropylbenzene, 1-Methyl-4-(1-methylethyl)benzene, Cumene, p-methyl-, 4-Methyl-1-isopropylbenzene, p-methyl cumene, p-Isopropylmethylbenzene, Isopropyltoluene, Benzene, 1-isopropyl-4-methyl-, 1-methyl-4-(propan-2-yl)benzene, 1-methyl-4-propan-2-ylbenzene, 4-Isopropyltoluol, FEMA No. 2356, DTXSID3026645, 4-Cymol, 4-methyl-1-(propan-2-yl)benzene, 1G1C8T1N7Q, NSC-4162, DTXCID006645, CHEBI:28768, RefChem:6093, 202-796-7, CYMENE, Cymene, p-, 4-Isopropylbenzyl radical, 1-isopropyl-4-methyl-Benzene, 4-methyl isopropylbenzene, p-Mentha-1,3,5-triene, NSC 4162, Methyl-4-(1-methylethyl)benzene, MFCD00008893, 1-Methyl-4-(1-methylethyl)-benzene, 1-Methyl-4-isopropyl benzene, 4-lsopropyltoluene, 1-(1-methylethyl)-4-methylbenzene, BENZENE,1-ISOPROPYL,4-METHYL p-Cymene, 4939-75-7, 4-methyl-1-(methylethyl)benzene, para cymene, CAS-99-87-6, HSDB 5128, EINECS 202-796-7, UNII-1G1C8T1N7Q, rho-cymene, AI3-02272, p-methyl-Cumene, MML, p-Cymene, 99%, p-Cymene [UN2046] [Flammable liquid], p-Cymene [UN2046] [Flammable liquid], Carvacrol derivative, 8, P- Isopropylmethylbenzene, p-Cymene [FHFI], p-Cymene [HSDB], CYMENE [MART.], p-Cymene [FCC], p-Cymene [MI], bmse000503, EC 202-796-7, SCHEMBL1143, p-Cymene [WHO-DD], SCHEMBL49949, orb104742, p-Cymene, analytical standard, SCHEMBL221706, SCHEMBL728252, p-Cymene, >=97%, FG, CHEMBL442915, SCHEMBL1006118, SCHEMBL1034270, SCHEMBL1492629, SCHEMBL2096221, SCHEMBL27521677, SCHEMBL27686929, NSC4162, BDBM248165, benzene, 1-methyl-4-methylethyl-, WLN: 1Y1 & R D1, Tox21_201932, Tox21_300338, EBC-46273, MSK000807, SBB060399, 1-methyl-4-(1-methylethyl) benzene, AKOS000121521, Benzene, 1-methyl-4(1-methylethyl)-, CCG-266123, FC36678, LMPR0102090014, p-Isopropyltoluene, analytical standard, MSK000807-1000M, NCGC00247998-01, NCGC00247998-02, NCGC00254425-01, NCGC00259481-01, AC-34132, AS-11012, NS00005157, S0664, ST51046586, EN300-21455, C06575, p-Cymene; 4-Methylisopropylbenzene; NSC 4162, F237717, Q284072, p-Isopropyltoluene Solution in Methanol, 1000ug/mL, p-Cymene, certified reference material, TraceCERT(R), F8889-6466, Z104497772, InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H

p-Cymene is used in heat-exchange media, metal polishes, and thinners for lacquers/varnishes.
p-Cymene is also used to make para-cresol, carvacrol, and synthetic resins.

p-Cymene is also used as a component of commercial terpene solvent mixtures.
p-Cymene, a naturally occurring aromatic organic compound, is not typically associated with drug trade names but is rather recognized for its presence in essential oils derived from plants such as cumin and thyme.

p-Cymene's chemical structure is defined as 1-methyl-4-(1-methylethyl)-benzene, and it exists in two isomeric forms: para-cymene (p-Cymene) and ortho-cymene (o-cymene), with the former being more common and extensively studied.
Although not a drug in the traditional sense, p-Cymene has attracted considerable attention from research institutions due to its varied pharmacological properties. 

p-Cymene targets a range of biological pathways, which has spurred research into its potential therapeutic applications.
p-Cymene has shown promise in anti-inflammatory, antioxidant, analgesic, and antimicrobial roles, making it a subject of interest in academic and medical research.

Institutions such as universities, pharmaceutical companies, and independent research laboratories have conducted studies to explore these properties further.
Notably, p-Cymene is being evaluated for its potential to treat conditions related to inflammation, microbial infections, and even cancer.

p-Cymene is an aromatic hydrocarbon consisting of a benzene ring substituted with one methyl group and one isopropyl group.
p-Cymene exists as three positional isomers—o-cymene, m-cymene, and p-Cymene—with p-Cymene being the most commonly encountered form.
p-Cymene is used in fragrances, flavor-related formulations, organic synthesis, solvents, and as an intermediate in the production of specialty chemicals and aromatic compounds.

p-Cymene’s chemical properties are largely due to its structure: one benzene ring with one methyl group and one isopropyl group attached.
p-Cymene has three isomers: p-Cymene, m-cymene, and o-cymene.
Allomers have a molecular weight of 134.21g/mol and a density of 857kg/m3, making p-Cymene lighter than water.

p-Cymene is naturally present in high quantities in the essential oils of thyme and oregano and smaller amounts in a wide range of herbs and spices.
Common plants containing p-Cymene are anise, cannabis, coriander, and cumin.

In small quantities, p-Cymene has a pleasant odor described as citrus, woody, sweet and earthy but can be overwhelmingly harsh and turpentine-like in strong concentrations.
For this reason, p-Cymene is used in the perfume industry and added in small amounts to cleaning products.

p-Cymene also alters how other aromatics smell and taste, leading to its usage in the food and beverage industry as a flavor additive.
Like most terpenes, p-Cymene adds a woody, earthy, slightly menthol aspect to the taste and smell of cannabis.

p-Cymene is only present in small amounts in a few strains of cannabis.
Still, due to the entourage effect, p-Cymene’s presence can significantly impact the type, length, and intensity of the “high” experienced.

p-Cymene has shown promise in many therapeutic applications, including anti-inflammatory, antibiotic, anti-tumor, and pain-killing abilities.
However, the usefulness of p-Cymene as a medication is limited by a half-life within the human body of only 40 minutes.
Ongoing research aims to prolong the effects of p-Cymene and enable its use as a medication for various illnesses.

p-Cymene is a naturally occurring aromatic organic compound.
p-Cymene is classified as an alkylbenzene related to monocyclic monoterpenes.

p-Cymene's structure consists of a benzene ring para-substituted with a methyl group and an isopropyl group.
p-Cymene is insoluble in water, but miscible with organic solvents.

p-Cymene is a naturally occurring compound, although it has two further geometric isomers, m-cymene (with meta-substituted alkyl groups) and o-cymene (with ortho-substituted alkyl groups) which do not occur naturally.
p-Cymene is related to the monoterpenes.

Monoterpenes themselves belong to the “terpenes”, a larger class of organic compounds, which are the most representative components of essential oils.
Chemical structure of p-Cymene, indicating the benzene ring with methyl and isopropyl substitutions.

p-Cymene describes organic compounds with the formula C10H14, condensed formula CH3C6H4CH(CH3)2.
Three isomers exist: 1,2- 1,3-, and 1,4-.

All are colorless liquids, immiscible in water, with similar boiling points.
They are classified as aromatic hydrocarbons.
They bear two substituents: an isopropyl (CH(CH3)2) group and a methyl group.

p-Cymene is a colorless liquid with a mild pleasant odor.
p-Cymene is floats on water.

p-Cymene is a monoterpene that is toluene substituted by an isopropyl group at position 4.
p-Cymene has a role as a volatile oil component, a plant metabolite and a human urinary metabolite.
p-Cymene is a member of toluenes and a monoterpene.

p-Cymene is a naturally occurring aromatic organic compound.
p-Cymene is classified as a hydrocarbon related to a monoterpene.

p-Cymene's structure consists of a benzene ring para-substituted with a methyl group and an isopropyl group.
p-Cymene is insoluble in water, but miscible with ethanol and ether.

Cymene is a constituent of a number of essential oils, most commonly the oil of cumin and thyme.
There are two less common geometric isomers.

p-Cymene, in which the alkyl groups are ortho-substituted, and m-cymene, in which they are meta-substituted.
p-Cymene is the only natural isomer.

p-Cymene is a common ligand for ruthenium.
The parent compound is [(η6-cymene)MCl2]2.

This half-sandwich compound is prepared by the reaction of ruthenium trichloride with the terpene α-phellandrene.
The osmium complex is also known.

Related Compounds of p-Cymene:
p-Cymene is a constituent of a number of essential oils, most commonly the oil of cumin and thyme.
Significant amounts are formed in sulfite pulping process from the wood terpenes.

p-Cymene is a common ligand for ruthenium. 
The parent compound is [(η6-cymene)RuCl2]2.

This half-sandwich compound is prepared by the reaction of ruthenium trichloride with the terpene α-phellandrene.
The osmium complex is also known.

Hydrogenation gives the saturated derivative p-menthane.

Uses of p-Cymene:
p-Cymene is used in heat-exchange media, metal polishes, and thinners for lacquers/varnishes.
p-Cymene is also used to make para-cresol, carvacrol, and synthetic resins.

p-Cymene is also used as a component of commercial terpene solvent mixtures.
p-Cymene is used as a diluent for lacquers, varnishes, and dyes.

p-Cymene is used in the production of resins.
p-Cymene is used as a component of fragrances.

p-Cymene is used also found as a byproduct in the manufacture of sulfite paper pulp.
p-Cymene is used in heat-exchange media, metal polishes, and thinners for lacquers/varnishes.

p-Cymene is also used to make para-cresol, carvacrol, and synthetic resins.
p-Cymene is also used as a component of commercial terpene solvent mixtures.

p-Cymene is used in heat-exchange media, metal polishes, and thinners for lacquers/varnishes.
p-Cymene is also used to make para-cresol, carvacrol, and synthetic resins.

p-Cymene is an alkyl aromatic hydrocarbon mainly used to study oxidation reactions under various conditions to synthesize highly valuable intermediates and building-blocks such as cymene hydroperoxide, 4-methyl acetophenone, 4-isopropyl benzyl alcohol, 4-isopropyl benzaldehyde and 4-isopropyl benzoic acid etc.
Medicinally, p-Cymene is used to prevent coughs and eliminate phlegm as well as being a flavouring agent, and being used in the production of fungicides and pesticides.

p-Cymene is considered to be “generally recognised as safe” (GRAS) by the U.S. Food and Drug Administration.
p-Cymene's potential in the prevention of protein glycation mediated diabetic complications has also been confirmed, and it has been suggested as an in vivo antioxidant compound due to its ability to reduce the formation of oxygen and nitrogen reactive species, acting as a potential neuroprotective agent in the brain.
Therefore, p-Cymene could be involved in the treatment of oxidative stress related diseases.

Industry Uses:
Odor agents
Fragrance
Intermediates

Consumer Uses:
Odor agents
Fragrance

Applications of p-Cymene:
p-Cymene is a colorless and transparent liquid with a distinct aromatic odor.
p-Cymene's molecular formula is C10H14, and it has a low toxicity, high stability, and ease of handling and transportation.
These characteristics make p-Cymene an ideal component in numerous industries.

Pharmaceutical Industry:
In the pharmaceutical sector, p-Cymene stands out as a natural bioactive compound with antioxidant, anti-inflammatory, and antibacterial properties.
p-Cymene is widely incorporated into drugs and health supplements for treating conditions such as indigestion, respiratory infections, and skin inflammation.
p-Cymene's ability to stimulate mucus secretion and facilitate mucus clearance also makes it effective in managing chronic bronchitis, where it aids in thinning mucus and reducing coughing.

Food and Flavor Industry:
p-Cymene enhances the taste and aroma of various food products, acting as a food additive and flavoring agent.
p-Cymene can be found in cooking oils, curry powders, and perfumes, among others, contributing to their appealing sensory qualities.

Chemical Industry:
As a solvent and reactant, p-Cymene plays a pivotal role in numerous chemical reactions, serving as an assistant in processes across various industries.
p-Cymene's applications extend to coatings, adhesives, and fuels, underscoring its versatility in the chemical sector.

Cosmetics and Personal Care:
In cosmetics and skincare products, p-Cymene enhances the fragrance and stability of items like perfumes, shampoos, and moisturizers.
p-Cymene's aromatic properties contribute to the overall sensory experience of these products.

Agriculture:
As a natural insecticide and fungicide, p-Cymene is a valuable component in pesticides and preservatives used to protect crops from pests and diseases.
p-Cymene's eco-friendly nature aligns with the growing demand for sustainable agricultural practices.

Health Benefits of p-Cymene:

Antibiotic:
p-Cymene is one of the main constituents in several essential oils known to have antibiotic properties and actively contributes to the inhibition of a wide range of bacteria and fungi.
The low toxicity of p-Cymene and its strong antibiotic properties make it an excellent candidate for use in food preservation and as a topical antibiotic.

Anti-convulsant:
p-Cymene has been shown to relax smooth muscles and lower the risk of seizures in mice and guinea pigs.
Smooth muscle relaxants treat various illnesses, including high blood pressure, peripheral vascular disease, congestive heart failure, premature labor, and asthma.

Although many studies are underway, p-Cymene is not currently prescribed as an anticonvulsant medication, and more information is required before it can be recommended as an at-home treatment.

Painkiller:
p-Cymene is an effective painkiller because it prevents nociceptive (injury) pain and reduces inflammation when tested on mice.
Most painkillers such as opioids and ibuprofen target either nociceptive or inflammatory pain.
The ability of p-Cymene to suppress both and its low toxicity in high concentrations shows promise for future application as a painkiller.

Antioxidant:
Oxidative damage to the nerves is strongly implicated as one of the leading causes of symptoms in Alzheimer’s Disease, Parkinson’s Disease, and Huntington’s Disease, as well as worsening the damage caused by strokes and brain injury.
p-Cymene has been shown to protect against oxidative damage of neurons in mice, suggesting that cymene may be suitable as a treatment for neurodegenerative diseases and traumatic brain injury.

Unfortunately, there is a history of similar medications working well in animal models but failing to prevent disease in human studies, and so the use of cymene as a treatment for neurodegenerative diseases needs much more study before drawing any conclusions.

Cancer Treatment:
A large number of monoterpenes show promise for use as anti-tumor medications, including p-Cymene.
p-Cymene has been shown both as an isolate and a compound to be toxic to lab-grown human cancer cells while leaving healthy cells unharmed.
Although this has only been observed in cell cultures, the low toxicity of p-Cymene is a promising indicator that it may be suitable for cancer treatment once researchers create a suitable delivery method.

Chemical Properties of p-Cymene:
p-Cymene has a citrusy aroma reminiscent of lemon.
p-Cymene is colorless liquid with a strong, characteristic odor reminiscent of carrot.

p-Cymene tends to darken with aging.
p-Cymene occurs naturally in orange peel oil, mandarin peel oil, satsuma mandarin peel oil, coldpressed lime peel oil, distilled lime peel oil, cinnamon leaf, etc. 4-isopropyltoluene has antimicrobial properties.
p-Cymene is used as a flavor ingredient permitted for direct addition to food for human consumption.

p-Cymene is a monoterpene that is found in a variety of plants, including C. sativa, and has diverse biological activities, including antimicrobial, anticancer, antioxidant, anti-inflammatory, antinociceptive, and anxiolytic properties.
p-Cymene inhibits the growth of S. typhimurium, E. coli, L. monocytogenes, S. epidermidis, and S. aureus with MIC values ranging from 0.266 to 0.608% v/v.

p-Cymene decreases the invasive activity of HT-1080 human fibrosarcoma cells in vitro by 87% when used at a concentration of 600 μM.
In mouse hippocampus, p-Cymene (50 mg/kg, i.p.) reduces lipid peroxidation and nitrite content by 65.5 and 71.2%, respectively, and increases superoxide dismutase (SOD) and catalase activities by 22.7 and 119.3%, respectively, compared to vehicle control animals.
Formulations containing p-Cymene have been used as flavoring agents.

Production of p-Cymene:
p-Cymene is conventionally produced by the Friedel-Crafts alkylation of toluene with isopropanol, or of benzene with methyl or isopropyl halides.

Production and reactions:
m- and p-Cymene are prepared by alkylation of toluene with propylene:

CH3C6H5 + 2 CH3CH=CH2 → CH3C6H4CH(CH3)2
These alkylations are catalyzed by various Lewis acids, such as aluminium trichloride.

m- and p-Cymene are mainly of interest as precursors to the respective cresols, which exploits the Hock rearrangements.

Isomers and production:
In addition to p-Cymene, two less common geometric isomers are o-cymene, in which the alkyl groups are ortho-substituted, and m-cymene, in which they are meta-substituted.
p-Cymene is the only natural isomer, as expected from the terpene rule.
All three isomers form the group of cymenes.

Cymene is also produced by alkylation of toluene with propene.

Stability and Reactivity of p-Cymene:

Chemical Stability:
Stable under normal recommended storage and handling conditions.

Reactivity:
Vapors may form flammable mixtures with air, particularly at elevated temperatures.

Conditions to Avoid:
Heat, sparks, open flames, hot surfaces, and static discharge.

Incompatible Materials:
Strong oxidizing agents, strong acids, and strong bases.

Hazardous Decomposition Products:
Thermal decomposition or combustion may produce carbon monoxide, carbon dioxide, and irritating organic fumes.

Handling and Storage of p-Cymene:

Safe Handling:
Use with adequate ventilation and avoid breathing vapors or mist.
Keep away from ignition sources and use non-sparking equipment where appropriate.

Storage Conditions:
Keep the container tightly closed in a cool, dry, and well-ventilated area away from heat and incompatible materials.

First Aid Measures of p-Cymene:

Inhalation:
Move the affected person to fresh air and obtain medical attention promptly.

Skin Contact:
Remove contaminated clothing and rinse the affected area thoroughly with water.

Eye Contact:
Rinse cautiously with plenty of water for several minutes and seek medical advice if irritation persists.

Ingestion:
Do not induce vomiting; obtain immediate medical assistance.

Firefighting Measures of p-Cymene:

Suitable Extinguishing Media:
Use dry chemical powder, dry sand, carbon dioxide, or alcohol-resistant foam.

Specific Hazards:
Cymene is a flammable liquid, and its vapors may ignite in the presence of an ignition source.

Protective Equipment:
Firefighters should wear appropriate protective equipment and self-contained breathing apparatus when necessary.

Accidental Release Measures of p-Cymene:

Personal Precautions:
Remove all ignition sources, provide adequate ventilation, and use appropriate personal protective equipment.

Environmental Precautions:
Prevent the material from entering drains, surface waters, or sewer systems.

Cleanup Methods:
Absorb spilled liquid with inert absorbent material and transfer it into suitable closed containers using non-sparking tools.

Exposure Controls/Personal Protection of p-Cymene:

Engineering Controls:
Provide adequate ventilation and use explosion-proof ventilation or electrical equipment where necessary.

Eye Protection:
Wear chemical safety glasses or goggles.

Hand Protection:
Wear suitable chemical-resistant gloves.

Skin Protection:
Wear appropriate protective clothing.

Respiratory Protection:
Use an approved respirator with an organic vapor filter when ventilation is insufficient or vapor exposure may be elevated.

Identifiers of p-Cymene:
CAS No: 99-87-6
Chemical Name: p-Cymene
CBNumber: CB9262508
Molecular Formula: C10H14
Molecular Weight: 134.22
MDL Number: MFCD00008893
MOL File: 99-87-6.mol

Linear Formula: CH3C6H4CH(CH3)2
CAS Number: 99-87-6
Molecular Weight: 134.22
FEMA Number: 2356
Council of Europe no.: 620
UNSPSC Code: 12164502
PubChem Substance ID: 24901011
Flavis number: 1.002
EC Number: 202-796-7
NACRES: NA.21
MDL number: MFCD00008893
Beilstein/REAXYS Number: 1903377
Organoleptic: spicy; woody; citrus
Grade: FG, Fragrance grade, Halal, Kosher
Biological source: synthetic
Agency: follows IFRA guidelines, meets purity specifications of JECFA
Food allergen: no known allergens

Product Number: C0513
Purity / Analysis Method : >95.0%(GC)
Molecular Formula / Molecular Weight: C10H14 = 134.22 
Physical State (20 deg.C): Liquid
Storage Temperature : Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN: 99-87-6
Reaxys Registry Number: 1903377
PubChem Substance ID: 87565630
SDBS (AIST Spectral DB): 1176
Merck Index (14): 2763
MDL Number: MFCD00008893

CAS Number: 99-87-6
Beilstein Reference: 1903377
ChEBI: CHEBI:28768
ChEMBL: ChEMBL442915
ChemSpider: 7183
ECHA InfoCard: 100.002.542
EC Number: 202-796-7
Gmelin Reference: 305912
KEGG: C06575
PubChem CID: 7463
RTECS number: GZ5950000
UNII: 1G1C8T1N7Q
UN number: 2046
CompTox Dashboard (EPA): DTXSID3026645
InChI: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Key: HFPZCAJZSCWRBC-UHFFFAOYSA-N
InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Key: HFPZCAJZSCWRBC-UHFFFAOYAD
SMILES: c1cc(ccc1C(C)C)C

Properties of p-Cymene:
Chemical formula: C10H14
Molar mass: 134.222 g·mol−1
Appearance: Colourless liquid
Density: 0.857 g/cm3
Melting point: −68 °C (−90 °F; 205 K)
Boiling point: 177 °C (351 °F; 450 K)
Solubility in water: 23.4 mg/L
Magnetic susceptibility (χ): −1.028×10−4 cm3/mol
Refractive index (nD): 1.4908 (at 20 °C) [2]

biological source: synthetic
Quality Segment: 400, 300
grade: FG, Fragrance grade, Halal, Kosher
agency: follows IFRA guidelines, meets purity specifications of JECFA
reg. compliance: EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117, FDA 21 CFR 172.515
vapor density: 4.62 (vs air)
vapor pressure: 1.5 mmHg ( 20 °C), 3.7 mmHg ( 37.7 °C)
assay: ≥97%
autoignition temp.: 817 °F
expl. lim.: 5.6 %
refractive index: n20/D 1.490 (lit.)
bp: 176-178 °C (lit.)
density: 0.86 g/mL at 25 °C (lit.)
application(s): flavors and fragrances
food allergen: no known allergens
fragrance allergen: no known allergens
organoleptic: spicy; woody; citrus
SMILES string: CC(C)c1ccc(C)cc1
InChI: 1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChI key: HFPZCAJZSCWRBC-UHFFFAOYSA-N

Melting point: -68 °C
Boiling point: 176-178 °C(lit.)
Density: 0.86 g/mL at 25 °C(lit.)
vapor density: 4.62 (vs air)
vapor pressure: 1.5 mm Hg ( 20 °C)
refractive index: n20/D 1.490(lit.)
FLAVIS Number: 01.002 | 1-Isopropyl-4-methylbenzene
Flash point: 117 °F
storage temp.: 2-8°C
solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
form: Liquid
color: Clear
Odor: Mild, pleasant; aromatic, solvent-type.
explosive limit: 5.6%
Odor Type: terpenic
biological source: synthetic
Odor Threshold: 0.057ppm
Viscosity: 0.81-7.1mm2/s
Water Solubility: PRACTICALLY INSOLUBLE
Thermal Conductivity: 0.122 W/(m·K) at 25 ℃
Specific Heat Capacity: Cp(liquid): 1.76 J/(g·K), at 25℃
JECFA Number: 1325
Merck: 14,2763
BRN: 1903377
Henry's Law Constant: 9.6×10-4 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
Dielectric constant: 2.3(17℃)
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases.
InChI: 1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
SMILES: CC(C)c1ccc(C)cc1
LogP: 4.1-4.8 at 20℃
Surface tension: 28.1mN/m at 20°C
CAS DataBase Reference: 99-87-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): p-Cymene
FDA 21 CFR: 172.515
FDA UNII: 1G1C8T1N7Q
NIST Chemistry Reference: Benzene, 1-methyl-4-(1-methylethyl)-(99-87-6)
EPA Substance Registry System: p-Cymene (99-87-6)
UNSPSC Code: 41116107
NACRES: NA.24

Melting Point: -68 °C
Boiling Point: 176 °C
Flash point: 52 °C
Specific Gravity (20/20): 0.86
Refractive Index: 1.49
Solubility in water: Insoluble
Degree of solubility in water: 0.02 g/l   25 °C
Solubility (miscible with): Ether, Acetone
Solubility (soluble in): Benzene, Alcohol

Molecular Weight: 134.22 g/mol
XLogP3: 4.1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Rotatable Bond Count: 1
Exact Mass: 134.109550447 Da
Monoisotopic Mass: 134.109550447 Da
Topological Polar Surface Area: 0 Ų
Heavy Atom Count: 10
Complexity: 86.2
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Specifications of p-Cymene:
Appearance: Colorless to Almost colorless clear liquid
Purity(GC): min. 95.0 %

Appearance (Color): Clear colorless
Identification (FTIR): Conforms
Form: Liquid
Assay (GC): ≥96.0%
Refractive Index: 1.4875-1.4925 @ 20?C

Names of p-Cymene:

Preferred IUPAC name:
1-Methyl-4-(propan-2-yl)benzene

Other names:
para-Cymene
4-Isopropyltoluene
4-Methylcumene
Paracymene