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Structure

3-Heptanone,2-methyl-

CAS
13019-20-0
Catalog Number
ACM13019200
Category
Other Products
Molecular Weight
128.212
Molecular Formula
C8H16O

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Specification

Synonyms
2-METHYL-3-HEPTANONE, 3-Heptanone, 2-methyl-, 2-Methylheptan-3-one, Butyl isopropyl ketone, 3-Methyl-2-heptanone, n-Butyl Isopropyl Ketone, Ambsda500032307, W400009_ALDRICH, 103128_ALDRICH, NSC21978, XYYMFUCZDNNGFS-UHFFFAOYSA-, MolPort-001-793-648, CID25611, EINECS 235-877-0, NSC 21978, ZINC01589669, 3-Heptanone, 2-methyl- (8CI)(9CI), M0693, 13019-20-0, InChI=1/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
IUPAC Name
2-methylheptan-3-one
Canonical SMILES
CCCCC(=O)C(C)C
InChI Key
XYYMFUCZDNNGFS-UHFFFAOYSA-N
Boiling Point
158-160ºC(lit.)
Flash Point
110 °F
Density
0.816 g/mL at 25ºC(lit.)
Appearance
COLORLESS LIQUID
EC Number
235-877-0
Exact Mass
128.12000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
16-26-36/37/39
WGK Germany
3
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