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Dioctadecyl fumarate

Dioctadecyl fumarate structure

CAS No:
7283-68-3
Formula:
C40H76O4
Chemical Name:
Dioctadecyl fumarate
Synonyms:
2-Butenedioic acid (2E)-,1,4-dioctadecyl ester;Fumaric acid,dioctadecyl ester;2-Butenedioic acid (E)-,dioctadecyl ester;2-Butenedioic acid (2E)-,dioctadecyl ester;Dioctadecyl fumarate;Di-n-octadecyl fumarate;trans-Di(octadecyl) fumarate;Distearyl fumarate;197167-07-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Dioctadecyl fumarate Basic Attributes

Molecular Weight：

621.02904

Exact Mass：

621.03

EC Number：

230-705-0

Characteristics

PSA：

52.6

XLogP3：

17.9

Melting Point：

71.5-72 °C

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

Dioctadecyl fumarate Use and Manufacturing

Manufacturing Info：

2-Butenedioic acid (2E)-, 1,4-dioctadecyl ester: INACTIVE|2-Butenedioic acid (2Z)-, 1,4-dioctadecyl ester: INACTIVE

Computed Properties

Molecular Weight:621.0
XLogP3:17.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:38
Exact Mass:620.57436090
Monoisotopic Mass:620.57436090
Topological Polar Surface Area:52.6
Heavy Atom Count:44
Complexity:563
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes