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Methyl stearate

CAT: 0931-T2O2666-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T2O2666-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112-61-8
Target
Others, Parasite
Related Pathways
Others, Microbiology/Virology
Purity
0.9933
Bioactivity
Methyl stearate (Methyl Octadecanoate) is found in cloves. Antifoaming agent and fermentation nutrient.
Smiles
CCCCCCCCCCCCCCCCCC(=O)OC
Molecular Formula
C19H38O2
Molecular Weight
298.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl Stearate

Methyl stearate is a fatty acid methyl ester obtained by formal condensation of the carboxy group of octadecanoic (stearic) acid with the hydroxy group of methanol. A natural product found in Neolitsea daibuensis. It has a role as a metabolite. It is a fatty acid methyl ester and an octadecanoate ester.

CAS Number112-61-8
PubChem CID8201
IUPAC Namemethyl octadecanoate
Molecular FormulaC19H38O2
Molecular Weight298.5
XLogP9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count21
Formal Charge0
Complexity214
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
InChIKey
HPEUJPJOZXNMSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Stearate
CAS: 112-61-8
CID: 8201
Formula: C19H38O2
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass298.287180451
Monoisotopic Mass298.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity214
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

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