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Merck
CN

45935

1,2,3-Trimethylbenzene

analytical standard

Synonym(s):

Hemellitol

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About This Item

Linear Formula:
C6H3(CH3)3
CAS Number:
526-73-8
Molecular Weight:
120.19
NACRES:
NA.24
PubChem Substance ID:
329757018
eCl@ss:
39011402
UNSPSC Code:
41116107
EC Number:
208-394-8
MDL number:
MFCD00008520
Beilstein/REAXYS Number:
1903410

Key Documents

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InChI key

FYGHSUNMUKGBRK-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1cccc(C)c1C

grade

analytical standard

vapor density

4.15 (vs air)

vapor pressure

3.4 mmHg ( 37.7 °C)

autoignition temp.

878 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

Quality Level

100

bp

175-176 °C (lit.)

mp

−25 °C (lit.)

density

0.894 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

127.4 °F - closed cup

flash_point_c

53 °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
BCCN6013
BCCF7088
BCBT0958

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J Järnberg et al.
Toxicology and applied pharmacology, 140(2), 281-288 (1996-10-01)
The objective of this study was to determine the uptake and disposition of inhaled trimethylbenzenes (TMBs) in man. The toxicokinetics were studied in 10 male, healthy volunteers exposed to TMB vapor in an exposure chamber for 2 hr during a
T Tomas et al.
International journal of occupational medicine and environmental health, 12(4), 331-343 (2000-03-07)
This study was performed to find out whether in acute exposure to trimethylbenzene (TMB) isomers the dose effect relationship is linear or biphasic. In experiments performed on rats, the effect of four solvents was studied: three TMB isomers: 1,3,5-TMB (mesitylene)
E Janik-Spiechowicz et al.
Mutation research, 412(3), 299-305 (1998-05-26)
The three trimethyl isomers of benzene (hemimellitene, 1,2,3-TMB; pseudocumene, 1,2,4-TMB and mesitylene, 1,3,5-TMB) were investigated for different genotoxicity endpoints: in vitro, in the Ames test with Salmonella typhimurium TA97a, TA98, TA100 and TA102 strains in the presence and absence of
Z Korsak et al.
International journal of occupational medicine and environmental health, 9(4), 341-349 (1996-01-01)
Neurotoxic effects of trimethylbenzene isomers (pseudocumene, mesitylene and hemimellitene) in male rats were investigated in conditions of acute and subchronic inhalation exposure. Rotarod performance and pain sensitivity behaviour were tested in rats exposed to trimethylbenzenes at concentrations of 250-2,000 ppm
Y Tsujimoto et al.
Chemosphere, 39(5), 725-730 (1999-08-17)
The structure was investigated of the mercapturic acid excreted in urine of rats after the i.p. administration of 1,2,3-trimethylbenzene. Of the two regioisomeric mercapturic acids, i.e. N-acetyl-S-(2,3-dimethylbenzyl)-L-cysteine and N-acetyl-S-(2,6-dimethyl-benzyl)-L-cysteine, only the former was isolated by preparative HPLC and identified, by
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