38190
2,6-Dimethyl-4-heptanone
technical, ~70% (GC)
Synonym(s):
Diisobutyl ketone, Isovalerone
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About This Item
Linear Formula:
(CH3)2CHCH2COCH2CH(CH3)2
CAS Number:
Molecular Weight:
142.24
PubChem Substance ID:
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
1743163
MDL number:
vapor density
4.9 (vs air)
vapor pressure
1.7 mmHg ( 20 °C)
grade
technical
assay
~70% (GC)
autoignition temp.
745 °F
expl. lim.
0.8-6.2 %, 100 °F
impurities
~25% 2,4-dimethyl-6-heptanone
refractive index
n20/D 1.412 (lit.), n20/D 1.415
bp
165-170 °C (lit.)
density
0.808 g/mL at 25 °C (lit.)
SMILES string
CC(C)CC(=O)CC(C)C
InChI
1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChI key
PTTPXKJBFFKCEK-UHFFFAOYSA-N
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Neepa Choksi et al.
Cutaneous and ocular toxicology, 39(3), 180-192 (2020-06-27)
OptiSafe is an in chemico test method that identifies potential eye irritants based on macromolecular damage following test chemical exposure. The OptiSafe protocol includes a prescreen assessment that identifies test chemicals that are outside the applicability domain of the test