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Merck
CN

47324

1,2,4-Trimethylbenzene

analytical standard

Synonym(s):

Pseudocumene

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About This Item

Linear Formula:
C6H3(CH3)3
CAS Number:
95-63-6
Molecular Weight:
120.19
EC Number:
202-436-9
UNSPSC Code:
41116107
PubChem Substance ID:
24870889
Beilstein/REAXYS Number:
1903005
MDL number:
MFCD00008527

Key Documents

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Product Name

1,2,4-Trimethylbenzene, analytical standard

InChI key

GWHJZXXIDMPWGX-UHFFFAOYSA-N

InChI

1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

SMILES string

Cc1ccc(C)c(C)c1

grade

analytical standard

vapor density

4.1 (vs air)

vapor pressure

4.5 mmHg ( 37.7 °C)

CofA

current certificate can be downloaded

autoignition temp.

959 °F

expl. lim.

6.4 %

packaging

ampule of 1000 mg

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.504 (lit.)

bp

168 °C (lit.)

mp

−44 °C (lit.)

density

0.876 g/mL at 20 °C (lit.)

application(s)

environmental

format

neat

storage temp.

2-30°C

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General description

Sigma-Aldrich offers 1,2,4-trimethylbenzene for a variety of applications that include, but are not limited to, environmental, food and beverage, forensics, petrochemical and pharmaceutical analyses. Purity of the chemical is about 99% unless otherwise stated.

Application

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

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

118.4 °F - closed cup

flash_point_c

48.0 °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
LRAD5987
LRAD2113
LRAC9804
LC20463V
LC08566V

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High-energy physics. Environmental report paralyzes Italian neutrino lab.
Alexander Hellemans et al.
Science (New York, N.Y.), 300(5626), 1634-1634 (2003-06-14)
D F Shakirov et al.
Patologicheskaia fiziologiia i eksperimental'naia terapiia, (4)(4), 13-16 (2003-03-18)
The authors' investigations show that red cells and tissues of animals exposed to a single 4-h inhalation of vapors of 1,2,4-trimethylbenzene in concentration 10 mg/m3 contained reduced amount of ATP, accumulated amounts of ADP, AMP in active inclusion of 32-P
Z Zheng et al.
Applied microbiology and biotechnology, 57(4), 572-578 (2002-01-05)
Laboratory batch experiments were performed with contaminated aquifer sediments and four soluble aromatic components of jet fuel to assess their biodegradation under anaerobic conditions. The biodegradation of four aromatic compounds, toluene, o-xylene, 1,2,4-trimethylbenzene (TMB), and naphthalene, separately or together, was
Richard H McKee et al.
International journal of toxicology, 29(3), 277-290 (2010-05-08)
This article reports the results of neurobehavioral tests on representative aromatic constituents, specifically C(9) to C(11) species. The testing evaluated effects in several domains including clinical effects, motor activity, functional observations, and visual discrimination performance. Exposures ranging from 600 to
Bruno Bühler et al.
Biotechnology and bioengineering, 82(7), 833-842 (2003-04-18)
Oxygenases catalyze, among other interesting reactions, highly selective hydrocarbon oxyfunctionalizations, which are important in industrial organic synthesis but difficult to achieve by chemical means. Many enzymatic oxygenations have been described, but few of these have been scaled up to industrial
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