1,4-Dioctyl (2E)-2-butenedioate
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1,4-Dioctyl (2E)-2-butenedioate
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CAS No:
2997-85-5
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Formula:
C20H36O4
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Chemical Name:
1,4-Dioctyl (2E)-2-butenedioate
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Synonyms:
2-Butenedioic acid (2E)-,1,4-dioctyl ester;Fumaric acid,dioctyl ester;2-Butenedioic acid (E)-,dioctyl ester;2-Butenedioic acid (2E)-,dioctyl ester;1,4-Dioctyl (2E)-2-butenedioate;Dioctyl fumarate;Di-n-octyl fumarate;Dicapryl fumarate
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CAS No:
Characteristics
52.60000
8.06
0.9290 g/cm3 @ Temp: 23 °C
190 °C @ Press: 0.8 Torr
195.5±19.6 °C
1.460
1,4-Dioctyl (2E)-2-butenedioate Use and Manufacturing
2-Butenedioic acid (2E)-, 1,4-dioctyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:340.5
XLogP3:7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:18
Exact Mass:340.26135963
Monoisotopic Mass:340.26135963
Topological Polar Surface Area:52.6
Heavy Atom Count:24
Complexity:305
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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