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30039

Supelco

p-Cymene

analytical standard

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Synonym(s):
1-Isopropyl-4-methylbenzene, 4-Isopropyltoluene
Linear Formula:
CH3C6H4CH(CH3)2
CAS Number:
99-87-6
Molecular Weight:
134.22
Beilstein:
1903377
EC Number:
202-796-7
MDL number:
MFCD00008893
PubChem Substance ID:
329753413
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

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

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

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Application

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Signal Word

Danger

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

125.6 °F - closed cup

Flash Point(C)

52 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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).
Rajenahally V Jagadeesh et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 17(51), 14375-14379 (2011-11-25)
An easily accessible in situ catalyst composed of [{RuCl(2)(p-cymene)}(2)] and terpyridine has been developed for the selective transfer hydrogenation of aromatic nitro and azo compounds. The procedure is general and the selectivity of the catalyst has been demonstrated by applying
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