W235601

Sigma-Aldrich

p-Cymene

≥97%, FG

Synonym(s):
4-Isopropyltoluene, 1-Isopropyl-4-methylbenzene
Linear Formula:
CH3C6H4CH(CH3)2
CAS Number:
Molecular Weight:
134.22
FEMA Number:
2356
Beilstein/REAXYS Number:
1903377
EC Number:
Council of Europe no.:
620
MDL number:
PubChem Substance ID:
Flavis number:
1.002
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Kosher

Agency/Method

meets purity specifications of JECFA

reg. compliance

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.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

woody; citrus; spicy

food allergen

no known allergens

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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Related Categories

Packaging

20 kg in composite drum
8 kg in steel drum
1 kg in glass bottle

Other Notes

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Signal Word

Danger

hazcat

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

storage_class_code

3 - Flammable liquids

WGK Germany

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

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...
Taruna Singh et al.
Inorganic chemistry, 51(1), 157-169 (2011-12-14)
[(η(6)-C(10)H(14))RuCl(μ-Cl)](2) (η(6)-C(10)H(14) = η(6)-p-cymene) was subjected to a bridge-splitting reaction with N,N',N''-triarylguanidines, (ArNH)(2)C═NAr, in toluene at ambient temperature to afford [(η(6)-C(10)H(14))RuCl{κ(2)(N,N')((ArN)(2)C-N(H)Ar)}] (Ar = C(6)H(4)Me-4 (1), C(6)H(4)(OMe)-2 (2), C(6)H(4)Me-2 (3), and C(6)H(3)Me(2)-2,4 (4)) in high yield with a view aimed at...
Kenichi Ogata et al.
Dalton transactions (Cambridge, England : 2003), 42(7), 2362-2365 (2012-12-14)
A series of 1,2,3-triazol-5-ylidene (tzNHC) complexes of a (p-cymene)ruthenium system was synthesized. The reactivity of the N-bonded and C-bonded aryl groups in the tzNHC ligand was found to be significantly different with respect to intramolecular aromatic C-H bond activation.
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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