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About This Item
Linear Formula:
(CH3)2CHOCH(CH3)2
CAS Number:
Molecular Weight:
102.17
EC Index Number:
203-560-6
UNSPSC Code:
12352112
Beilstein/REAXYS Number:
1731256
MDL number:
SMILES string
CC(C)OC(C)C
InChI key
ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
InChI
1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
vapor density
3.5 (vs air)
vapor pressure
120 mmHg ( 20 °C)
assay
≥99% (GC)
form
liquid
autoignition temp.
827 °F
potency
5880 mg/kg LD50, oral (Rat), >2000 mg/kg LD50, skin (Rabbit)
expl. lim.
1-21 %, 100 °F
pH
7 (20 °C)
bp
68-69 °C (lit.)
mp
−85 °C (lit.)
transition temp
flash point -28 °C
density
0.725 g/mL at 25 °C (lit.)
storage temp.
2-30°C
Analysis Note
Appearance of substance (visual): clear
Colour number (Apha): ≤ 20
Assay (GC, area%): ≥ 99.0 % (a/a)
Water (K. F.): ≤ 0.10 %
Density (d 20 °C/ 4 °C): 0.722 - 0.724
Peroxide (as H₂O₂): ≤ 0.005 %
Identity (IR): passes test
Ni (Nickel): lot specific result
Colour number (Apha): ≤ 20
Assay (GC, area%): ≥ 99.0 % (a/a)
Water (K. F.): ≤ 0.10 %
Density (d 20 °C/ 4 °C): 0.722 - 0.724
Peroxide (as H₂O₂): ≤ 0.005 %
Identity (IR): passes test
Ni (Nickel): lot specific result
Legal Information
MSYNTH is a trademark of Merck KGaA, Darmstadt, Germany
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