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Merck

30039

p-Cymene

analytical standard

Sinónimos:

1-Isopropyl-4-methylbenzene, 4-Isopropyltoluene

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Fórmula lineal:
CH3C6H4CH(CH3)2
Número CAS:
99-87-6
Peso molecular:
134.22
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329753413
EC Number:
202-796-7
Beilstein/REAXYS Number:
1903377
MDL number:
MFCD00008893

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InChI key

HFPZCAJZSCWRBC-UHFFFAOYSA-N

InChI

1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3

SMILES string

CC(C)c1ccc(C)cc1

grade

analytical standard

vapor density

4.62 (vs air)

vapor pressure

1.5 mmHg ( 20 °C), 3.7 mmHg ( 37.7 °C)

assay

≥99.5% (GC)

autoignition temp.

817 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

5.6 %

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

Quality Level

100

refractive index

n20/D 1.490 (lit.), n20/D 1.491

bp

176-178 °C (lit.)

density

0.86 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

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Categorías relacionadas

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
This compound is commonly found in plants of the genus: thymus

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Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 3 - Repr. 2

Clase de almacenamiento

3 - Flammable liquids

wgk

WGK 2

flash_point_f

125.6 °F - closed cup

flash_point_c

52 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificados de análisis (COA)

Lot/Batch Number
BCCM8291
BCCL4640
BCCH0770
BCCG4236
BCCG4235

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Lutz Ackermann et al.
Organic letters, 14(8), 2146-2149 (2012-04-13)
The ruthenium(II) carboxylate complex [Ru(O(2)CMes)(2)(p-cymene)] enabled efficient direct arylations of unactivated C-H bonds with easily available, inexpensive phenols. Extraordinary chemoselectivity of the well-defined ruthenium catalyst set the stage for challenging C-H/C-O bond functionalizations to occur under solvent-free conditions as well
Vanessa Kar-Yan Lo et al.
Journal of the American Chemical Society, 134(18), 7588-7591 (2012-04-26)
Complex [(p-cymene)Ru(η(1)-O(2)CCF(3))(2)(OH(2))] mediated transformation of α-diazoacetamides ArCH(2)N(C(CH(3))(3))C(O)CHN(2) to result in carbene insertion into the primary C-H bond exclusively, with the γ-lactam products being isolated in up to 98% yield. This unexpected reaction is striking in view of the presence of
Natalia Busto et al.
Chemistry, an Asian journal, 7(4), 788-801 (2012-02-07)
The reactions of two diaminotriazine ligands 2,4-diamino-6-(2-pyridyl)-1,3,5-triazine (2-pydaT) and 6-phenyl-2,4-diamino-1,3,5-triazine (PhdaT) with ruthenium-arene precursors led to a new family of ruthenium(II) compounds that were spectroscopically characterized. Four of the complexes were cationic, with the general formula [(η(6)-arene)Ru(κ(2)-N,N-2-pydaT)Cl]X (X=BF(4), TsO; arene=p-cymene:
Lydia E H Paul et al.
Inorganic chemistry, 51(2), 1057-1067 (2012-01-10)
The relative affinity of the cationic triangular metallaprism, [(pCH(3)C(6)H(4)Pr(i))(6)Ru(6)(tpt)(2)(dhbq)(3)](6+) ([1](6+)), for various amino acids, ascorbic acid, and glutathione (GSH) has been studied at 37 °C in aqueous solutions at pD 7, using NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS).
Marek Kuzma et al.
Dalton transactions (Cambridge, England : 2003), 42(14), 5174-5182 (2013-02-14)
Asymmetric transfer hydrogenation (ATH) of cyclic imines using [RuCl(η(6)-p-cymene)TsDPEN] (TsDPEN = N-tosyl-1,2-diphenylethylenediamine) was tested with various aliphatic (secondary, tertiary) and aromatic amines employed in the HCOOH-base hydrogen donor mixture. Significant differences in reaction rates and stereoselectivity were observed, which pointed
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