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Merck
CN

C121452

p-Cymene

99%

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:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892383
EC Number:
202-796-7
Beilstein/REAXYS Number:
1903377
MDL number:
MFCD00008893
Assay:
99%
Form:
liquid

Key Documents

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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

vapor density

4.62 (vs air)

vapor pressure

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

assay

99%

form

liquid

autoignition temp.

817 °F

expl. lim.

5.6 %

Quality Level

100

bp

176-178 °C (lit.)

density

0.86 g/mL at 25 °C (lit.)

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Application

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.

signalword

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ1719
MKCX2202
MKCT1939
MKCQ7471
MKCS1827

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Liquid-phase oxidation of p-cymene: Nature of intermediate hydroperoxides and relative activity of the alkyl groups
Serif, George Samuel and Hunt, CF and Bourns, AN
Canadian Journal of Chemistry, 31(12), 1229-1238 (1953)
Loris Pinto et al.
Molecules (Basel, Switzerland), 25(20) (2020-10-22)
The aim of this work was to evaluate the antifungal activity in vapor phase of thymol, p-cymene, and γ-terpinene, the red thyme essential oil compounds (RTOCs). The Minimum Inhibitory Concentration (MIC) of RTOCs was determined against postharvest spoilage fungi of
Electron-transfer processes: oxidation of naphthalene and p-cymene by peroxydisulfate
Giordano, Claudio and Belli, Aldo and Citterio, Attilio and Minisci, Francesco
The Journal of Organic Chemistry, 44(13), 2314-2315 (1979)
Nanosized ruthenium particles decorated carbon nanofibers as active catalysts for the oxidation of p-cymene by molecular oxygen
Makgwane, Peter R and Ray, Suprakas Sinha
J. Mol. Catal. A: Chem., 373, 1-11 (2013)
Wei Zhou et al.
Journal of agricultural and food chemistry, 67(30), 8382-8392 (2019-07-05)
Staphylococcus aureus is a common pathogen that can cause life-threatening infections. Treatment of antibiotic-resistant S. aureus infection needs effective antibacterial agents. Thymol, a generally recognized safe natural compound, has potential as an alternative to treat S. aureus infections. However, the
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