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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:
75-97-8
Molecular Weight:
100.16
UNSPSC Code:
12352115
EC Index Number:
200-920-4
NACRES:
NA.22
MDL number:
MFCD00008846
Assay:
≥97.0% (GC)
Form:
liquid
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vapor pressure

33 hPa ( 20 °C)

Quality Segment

200

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

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

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

Regulatory Information

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Global Trade Item Number

SKUGTIN
841645010004022536648569
841645050004027269012366