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8.04512

4-Hydroxy-4-methyl-2-pentanone

for synthesis

Synonym(s):

4-Hydroxy-4-methyl-2-pentanone, 2-Methyl-2-pentanol-4-one, Diacetone alcohol

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About This Item

Linear Formula:
(CH3)2C(OH)CH2COCH3
CAS Number:
123-42-2
Molecular Weight:
116.16
UNSPSC Code:
12352115
EC Index Number:
204-626-7
NACRES:
NA.22
MDL number:
MFCD00004471
Assay:
≥98.0% (GC)
Form:
liquid
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vapor pressure

1.1 hPa ( 20 °C)

Quality Level

200

assay

≥98.0% (GC)

form

liquid

autoignition temp.

640 °C

potency

2520 mg/kg LD50, oral (Rat), 13630 mg/kg LD50, skin (Rabbit)

expl. lim.

1.8-6.9 % (v/v)

bp

168 °C/1013 hPa

mp

-47 °C

transition temp

flash point 58 °C

density

0.937-0.941 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

OC(CC(=O)C)(C)C

InChI

1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

InChI key

SWXVUIWOUIDPGS-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.937 - 0.941
Identity (IR): passes test

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Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

136.4 °F - closed cup

flash_point_c

58 °C - closed cup

Certificates of Analysis (COA)

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