2-Heptanol, 6-methyl-, 2-acetate
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2-Heptanol, 6-methyl-, 2-acetate
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CAS No:
67952-57-2
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Formula:
C10H20O2
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Chemical Name:
2-Heptanol, 6-methyl-, 2-acetate
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Synonyms:
2-Heptanol,6-methyl-,2-acetate;2-Heptanol,6-methyl-,acetate;6-Methyl-2-heptyl acetate
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CAS No:
Description
ChEBI: The acetate ester of 6-methylheptan-2-ol.
6-methyl-2-heptanyl acetate is the acetate ester of 6-methylheptan-2-ol. It has a role as a metabolite.
Characteristics
26.3
3.1
0.8494 g/cm3 @ Temp: 20 °C
-65.75°C (estimate)
187 °C
44.59 mg/L @ 25 °C (est)
Computed Properties
Molecular Weight:172.26
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:130
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Heptanol, 6-methyl-, 2-acetate
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