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线性分子式:
C6H3(CH3)3
化学文摘社编号:
分子量:
120.19
NACRES:
NA.24
PubChem Substance ID:
eCl@ss:
39011402
UNSPSC Code:
41116107
EC Number:
208-394-8
MDL number:
Beilstein/REAXYS Number:
1903410
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
refractive index
n20/D 1.513 (lit.)
bp
175-176 °C (lit.)
mp
−25 °C (lit.)
density
0.894 g/mL at 25 °C (lit.)
application(s)
environmental
format
neat
Quality Level
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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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
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
法规信息
危险化学品
此项目有
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E Janik-Spiechowicz et al.
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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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