p-Cymene CAS#99-87-6

CAS Number: 99-87-6
Chemical Formula: C10H14
Synonyms:

4-CYMENE
4-METHYLISOPROPYLBENZENE
4-ISOPROPYLTOLUENE

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

p-Cymene CAS#99-87-6

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 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)
refractive index	n20/D 1.490(lit.)
FEMA	2356 \| P-CYMENE
Fp	117 °F
storage temp.	2-8°C
solubility	Chloroform (Sparingly), Ethyl Acetate (Slightly)
form	Liquid
color	Clear
Odor	Mild, pleasant; aromatic, solvent-type.
Odor Threshold	0.057ppm
Odor Type	terpenic
biological source	synthetic
explosive limit	5.6%
Water Solubility	PRACTICALLY INSOLUBLE
Merck	14,2763
JECFA Number	1325
BRN	1903377
Dielectric constant	2.3（17℃）
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases.
Major Application	cleaning products cosmetics environmental flavors and fragrances food and beverages personal care
Cosmetics Ingredients Functions	FRAGRANCE
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)
NIST Chemistry Reference	Benzene, 1-methyl-4-(1-methylethyl)-(99-87-6)
EPA Substance Registry System	p-Cymene (99-87-6)

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	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29029090
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Inhalation Aquatic Chronic 2 Asp. Tox. 1 Flam. Liq. 3 Repr. 2
Hazardous Substances Data	99-87-6(Hazardous Substances Data)
Toxicity	LD50 orally in rats: 4750 mg/kg (Jenner)

Product Application Of p-Cymene CAS#99-87-6

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.

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