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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Methyl heptadecanoate-[d33]

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General Information
Catalog: BLP-009991
CAS: 1219804-81-5
Molecular Formula: C18H3D33O2
Molecular Weight: 317.68
Chemical Structure
Methyl heptadecanoate-[d33]
Description Methyl Margarate-[d33] is the labelled analogue of Methyl Margarate which is used in large scale biodesel production, preparation and optimization studies.
Synonyms Heptadecanoic acid-d33 methyl ester; Methyl margarate-d33
IUPAC Name methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontadeuterioheptadecanoate
Related CAS 1731-92-6 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC
Canonical SMILES CCCCCCCCCCCCCCCCC(=O)OC
InChI InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2
InChI Key HUEBIMLTDXKIPR-SRIUXHGCSA-N
Boiling Point 152-153°C at 0.05 mmHg (lit.)
Melting Point 29.8-30.3°C (lit.)
Purity 98% by CP; 98% atom D
Solubility Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance White to Off-white Low-melting Solid
Storage Store at 2-8°C
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