Structure

Hexadecanoic-d31 acid

CAS
39756-30-4
Catalog Number
ACM39756304
Category
Other Products
Molecular Weight
287.62
Molecular Formula
C16HD31O2

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Specification

Synonyms
Palmitic-D31 acid; Hexadecanoic-[D31] acid
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChI Key
IPCSVZSSVZVIGE-SAQPIRCFSA-N
Boiling Point
271.5 °C at 100 mmHg (lit.)
Melting Point
61-64 °C (lit.)
Flash Point
154.1ºC
Density
0.868 g/mL at 25 °C
Appearance
Neat
Chemical Formula
CD3(CD2)14COOH
Exact Mass
256.24000
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
1
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(=O)O
Safety Description
26-36
Stability
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions
Store at room temperature

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