Products for Research Use Only
RegisterLogin

Behenyl Behenate

CAT: 0572-TRC-B131153-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B131153-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
17671-27-1
Synonyms
Behenyl Behenate
Hazard Statement
No Data Available
Smiles
O=C(OCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
Molecular Formula
C44 H88 O2
Molecular Weight
649.168
InChI
InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3
Additionnal Information
IUPAC name: docosyl docosanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Behenyl 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 Number17671-27-1
PubChem CID87221
IUPAC Namedocosyl docosanoate
Molecular FormulaC44H88O2
Molecular Weight649.2
XLogP21.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count42
Heavy Atom Count46
Formal Charge0
Complexity544
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H88O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3
InChIKey
NJIMZDGGLTUCPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Behenyl Behenate
CAS: 17671-27-1
CID: 87221
Formula: C44H88O2
MW: 649.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight649.2
XLogP321.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count42
Exact Mass648.67843205
Monoisotopic Mass648.67843205
Topological Polar Surface Area26.3 Ų
Heavy Atom Count46
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
G598275Glycidyl Behenate
TRC-G601515-250MGGlyceryl Behenate
TRC-G601515-100MGGlyceryl Behenate
TRC-G601470-1GGlyceryl Behenate
TRC-C432558-750MGCholesteryl Behenate
TRC-G598276-1MGGlycidyl Behenate-d5
TRC-G598276-10MGGlycidyl Behenate-d5
TRC-G601517-10MGGlyceryl-d5 Behenate
TRC-B119580-50GBehenic Acid
TRC-B119580-10GBehenic Acid

Alternative Products

CatalogName
442210-01Behenyl Behenate
TCL-00215-01Behenyl acetate
MBS393421-01Behenyl Stearate
MBS393411-01Behenyl Palmitate
MBS393394-01Behenyl Laurate
HY-165827Behenyl myristate
HY-165803Behenyl arachidonate
MBS393446-01Behenyl Oleate
MBS394837-01Behenyl Linolenate
MBS394821-01Behenyl Palmitoleate

Popular Products