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About This Item
Linear Formula:
(CH3)3C6H2COCH3
CAS Number:
Molecular Weight:
162.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
216-783-9
Beilstein/REAXYS Number:
2044595
MDL number:
Product Name
2′,4′,6′-Trimethylacetophenone, ≥98.0% (GC)
InChI key
XWCIICLTKWRWCI-UHFFFAOYSA-N
InChI
1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3
SMILES string
CC(=O)c1c(C)cc(C)cc1C
assay
≥98.0% (GC)
form
liquid
refractive index
n20/D 1.517 (lit.)
n20/D 1.517
bp
235-236 °C (lit.)
61-62 °C/0.1 mmHg (lit.)
density
0.975 g/mL at 25 °C (lit.)
functional group
ketone
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Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves
Regulatory Information
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