Para Cymene

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Product Description

Para Cymene's cas code is 99-87-6

Product Detail

Para Cymene Basic information

Description Chemical Properties Uses Production Methods References

Product Name:	Para Cymene
Synonyms:	4-CYMENE;4-METHYLISOPROPYLBENZENE;4-ISOPROPYLTOLUENE;lsopropyltoluene;1-(1-methylethyl)-4-methylbenzene;1-isopropyl-4-methyl-benzen;1-methyl-4-(1-methylethyl)-benzen;1-methyl-4-(1-methylethyl)benzene
CAS:	99-87-6
MF:	C10H14
MW:	134.22
EINECS:	202-796-7
Product Categories:	Artemisia vulgaris;Boswellia carterii;Building Blocks;Carthamus tinctorius (Safflower oil);Chamaemelum nobile (Chamomile tea);Chemical Synthesis;Citrus aurantium (Seville orange);Curcuma longa (Turmeric);Elettaria Cardamomum (Cardamom);Ginkgo biloba;Humulus lupulus (Hops);Hypericum perforatum (St John′;Lavandula angustifolia (Lavendar tea);Melaleuca alternifolia;Nutrition Research;Ocimum basilicum (Basil);Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);s wort);Zingiber officinale (Ginger);Analytical Chemistry;Standard Solution of Volatile Organic Compounds for Water & Soil Analysis;Standard Solutions (VOC);Arenes
Mol File:	99-87-6.mol

Para Cymene Chemical Properties

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)
FEMA	2356 \| P-CYMENE
refractive index	n20/D 1.490(lit.)
Fp	117 °F
storage temp.	Flammables area
form	Liquid
color	Clear
Odor	Mild, pleasant; aromatic, solvent-type.
Odor Threshold	0.057ppm
explosive limit	5.6%
Water Solubility	PRACTICALLY INSOLUBLE
JECFA Number	1325
Merck	14,2763
BRN	1903377
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases.
InChIKey	HFPZCAJZSCWRBC-UHFFFAOYSA-N
CAS DataBase Reference	99-87-6(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-methyl-4-(1-methylethyl)-(99-87-6)
EPA Substance Registry System	p-Cymene (99-87-6)

Para Cymene Safety Information

Hazard Codes	Xi
Risk Statements	10-36/37/38
Safety Statements	26-36
RIDADR	UN 2046 3/PG 3
WGK Germany	2
RTECS	GZ5950000
Autoignition Temperature	817 °F
TSCA	Yes
HazardClass	3
PackingGroup	III
HS Code	29029090
Hazardous Substances Data	99-87-6(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 4750 mg/kg (Jenner)

Para Cymene Usage And Synthesis

Chemical Properties	p-Cymene has a citrusy aroma reminiscent of lemon. It is colorless liquid with a strong, characteristic odor reminiscent of carrot. It tends to darken with aging. It 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. It is used as a flavor ingredient permitted for direct addition to food for human consumption.
Uses	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. It is considered to be “generally recognised as safe” (GRAS) by the U.S. Food and Drug Administration. Its 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, it could be involved in the treatment of oxidative stress related diseases.
Production Methods	p-cymene is conventionally produced by the Friedel-Crafts alkylation of toluene with isopropanol, or of benzene with methyl or isopropyl halides.
References	[1] George A. Burdock, Encyclopedia of Food and Color Additives, Volume 1, 1996 [2] C.F. Bagamboula, M. Uyttendaele and J. Debevere, Inhibitory effect of thyme and basil essential oils, carvacrol, thymol, estragol, linalool and p-cymene towards Shigella sonnei and S. flexneri, Food Microbiology, 2004, vol. 21, 33-42
Chemical Properties	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.It 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.
Preparation	Obtained chiefly from the wash water of sulfite paper.
Definition	ChEBI: A monoterpene that is toluene substituted by an isopropyl group at position 4.
Aroma threshold values	Aroma characteristics at 1% EtoH: harsh chemical, woody and terpy-like with an oxidized citrus lemon note. It has spicy nuances reminiscent of cumin, oregano and cilantro
Taste threshold values	Taste characteristics at 1 to 10 ppm: terpy and rancid with slightly woody, oxidized citrus notes. It has spice nuances of green pepper and oregano.
General Description	Colorless liquid with a mild pleasant odor. Floats on water.
Air & Water Reactions	Insoluble in water.
Reactivity Profile	Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as CYMENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.
Health Hazard	Inhalation causes impairment of coordination, headache. Contact with liquid causes mild irritation of eyes and skin. Ingestion causes irritation of mouth and stomach.
Fire Hazard	HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Chemical Reactivity	Reactivity with Water: No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Safety Profile	Mildly toxic by ingestion. Humans sustain central nervous system effects at low doses. A skin irritant. Flammable liquid. Explosion Hazard: Slight in the form of vapor. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes.
Purification Methods	Wash p-cymene with cold, conc H2SO4 until there is no further colour change, then repeatedly with H2O, 10% aqueous Na2CO3 and H2O again. Dry it over Na2SO4, CaCl2 or MgSO4, and distil it. Further purification steps include steam distillation from 3% NaOH, percolation through silica gel or activated alumina, and a preliminary reflux for several days over powdered sulfur. Store it over CaH2. [Beilstein 5 IV 1060.]

Para Cymene Preparation Products And Raw materials

Raw materials	(+)-Dipentene-->Cineole
Preparation Products	Acetone-->m-Cresol-->Cresol-->p-Toluic acid-->Isoproturon-->4-Bromomethylbenzoic acid-->4-Isopropylbenzaldehyde-->GAMMA-TERPINENE-->2-NITRO-4-CYMENE