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Merck

30039

p-Cymene

analytical standard

Synonym(s):

1-Isopropyl-4-methylbenzene, 4-Isopropyltoluene

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About This Item

Linear Formula:
CH3C6H4CH(CH3)2
CAS Number:
99-87-6
Molecular Weight:
134.22
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329753413
EC Number:
202-796-7
Beilstein/REAXYS Number:
1903377
MDL number:
MFCD00008893

Key Documents

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Product Name

p-Cymene, analytical standard

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

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

Quality Level

100

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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

Storage Class

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCM8291
BCCL4640
BCCH0770
BCCG4236
BCCG4235

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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
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
Gerd Ludwig et al.
Journal of inorganic biochemistry, 113, 77-82 (2012-06-16)
Reactions of ω-diphenylphosphino-functionalized alkyl phenyl sulfides Ph(2)P(CH(2))(n)SPh (n=1, L1; 2, L2; 3, L3), sulfoxides Ph(2)P(CH(2))(n)S(O)Ph (n=1, L4; 2, L5; 3, L6) and sulfones Ph(2)P(CH(2))(n)S(O)(2)Ph (n=1, L7; 2, L8; 3, L9) with the dinuclear chlorido bridged ruthenium(II) complex [{Ru(η(6)-p-cymene)Cl(2)}(2)] afforded mononuclear
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.
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