Name: Methyl heptadecanoate-[d33]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-009991

CAS: 1219804-81-5

Molecular Formula: C18H3D33O2

Molecular Weight: 317.68

Chemical Structure

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