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Allyl stearate

Allyl stearate structure

CAS No:
6289-31-2
Formula:
C21H40O2
Chemical Name:
Allyl stearate
Synonyms:
Octadecanoic acid,2-propen-1-yl ester;Stearic acid,allyl ester;Octadecanoic acid,2-propenyl ester;Allyl stearate;Allyl octadecanoate;NSC 5642
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Allyl stearate Basic Attributes

Molecular Weight：

324.54

Exact Mass：

324.54

EC Number：

228-527-3

UNII：

201TK826D9

NSC Number：

5642

DSSTox ID：

DTXSID50212055

HScode：

2915709000

Characteristics

PSA：

26.3

XLogP3：

6.97710

Density：

0.868g/cm3

Melting Point：

36-38 °C

Boiling Point：

198-208 °C @ Press: 10-12 Torr

Flash Point：

180.3ºC

Refractive Index：

1.452

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:324.5
XLogP3:9.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:19
Exact Mass:324.302830514
Monoisotopic Mass:324.302830514
Topological Polar Surface Area:26.3
Heavy Atom Count:23
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 6289-31-2

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CAS No.: 6289-31-2

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