Stearyl behenate

CAT: 0024-sc-215909Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-215909Size:1 g

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CAS Number

24271-12-3

Chemical Information

Stearyl Behenate

The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.

CAS Number	24271-12-3
PubChem CID	90435
IUPAC Name	octadecyl docosanoate
Molecular Formula	C40H80O2
Molecular Weight	593.1
XLogP	19.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	38
Heavy Atom Count	42
Formal Charge	0
Complexity	488

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3

InChIKey

GAQPWOABOQGPKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24271-12-3

CID: 90435

Formula: C40H80O2

MW: 593.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	593.1
XLogP3	19.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	38
Exact Mass	592.61583179
Monoisotopic Mass	592.61583179
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	488
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-272470	Silver (I) behenate
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sc-229330A	Stearyl glycyrrhetinate
sc-215912	Stearyl stearate

Alternative Products

Catalog	Name
TCL-00168-01	Stearyl behenate
CAA48905-01	Silver Behenate
HY-165865	Palmityl behenate
HY-W554893-01	Behenate (sodium)
HY-165894	Myristoleyl behenate
T7967-01	Methyl behenate
MBS393438-01	Oleyl Behenate
MBS393437-01	Behenyl Behenate
G598275	Glycidyl Behenate
MBS394700-01	Sodium Behenate

Stearyl behenate

Chemical Information

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