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Dotriacontane-[d66]

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General Information
Catalog: BLP-001644
CAS: 62369-68-0
Molecular Formula: C32D66
Molecular Weight: 517.27

Chemical Structure

Description	Dotriacontane-[d66] is the labelled analogue of Dotriacontane. Dotriacontane, also known as N-dotriacontane or bicetyl, belongs to the class of organic compounds known as alkanes. Outside of the human body, can be found in coconut, garden tomato (var. ), papaya, and tea. This makes a potential biomarker for the consumption of these food products.
Synonyms	N-Dotriacontane-d66; Dotriacontane-d66; Bicetyl-d66; NSC 6361-d66; Lacceran-d66
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,32-hexahexacontadeuteriodotriacontane
Related CAS	544-85-4 (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([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])[2H]
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2,30D2,31D2,32D2
InChI Key	QHMGJGNTMQDRQA-MRVSPWAISA-N
Boiling Point	467°C
Melting Point	64-66°C
Purity	98%; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Hexanes (Slightly)
Appearance	White to Off-white Solid
Storage	Store at RT