8.41645
3,3-Dimethyl-2-butanone
for synthesis
Synonym(s):
3,3-Dimethyl-2-butanone, Pinacolone, Pinacoline, 1,1,1-Trimethylacetone, tert-Butyl methyl ketone
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About This Item
Empirical Formula (Hill Notation):
C6H12O
CAS Number:
Molecular Weight:
100.16
UNSPSC Code:
12352115
EC Index Number:
200-920-4
NACRES:
NA.22
MDL number:
Assay:
≥97.0% (GC)
Form:
liquid
vapor pressure
33 hPa ( 20 °C)
Quality Level
assay
≥97.0% (GC)
form
liquid
potency
610 mg/kg LD50, oral (Rat)
bp
105-106 °C/1013 hPa
mp
-53 °C
transition temp
flash point 5 °C
density
0.808 g/cm3 at 20 °C
storage temp.
2-30°C
SMILES string
O=C(C(C)(C)C)C
InChI
1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChI key
PJGSXYOJTGTZAV-UHFFFAOYSA-N
Analysis Note
Assay (GC, area%): ≥ 97.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.806 - 0.810
Identity (IR): passes test
Density (d 20 °C/ 4 °C): 0.806 - 0.810
Identity (IR): passes test
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
41.0 °F - closed cup
flash_point_c
5 °C - closed cup
Certificates of Analysis (COA)
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