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425893

Sigma-Aldrich

Glyceryl tri(octanoate-1-13C)

99 atom % 13C, 98% (CP)

Synonym(s):

1,2,3-Propanetriol tris(octanoate-1-13C), Trioctanoin-carboxyls-13C3

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About This Item

Linear Formula:
[CH3(CH2)613CO2CH2]2CHO213C(CH2)6CH3
CAS Number:
65402-55-3
Molecular Weight:
473.66
MDL number:
MFCD00083978
UNSPSC Code:
12352202
PubChem Substance ID:
24866671

isotopic purity

99 atom % 13C

Assay

98% (CP)

refractive index

n20/D 1.447 (lit.)

mass shift

M+3

SMILES string

CCCCCCC[13C](=O)OCC(CO[13C](=O)CCCCCCC)O[13C](=O)CCCCCCC

InChI

1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i25+1,26+1,27+1

InChI key

VLPFTAMPNXLGLX-UTXJEHKQSA-N

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
ST0052
016H3754
IS1177
10348AE
SH0039

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13C-trioctanoin: a nonradioactive breath test to detect fat malabsorption.
J B Watkins et al.
The Journal of laboratory and clinical medicine, 90(3), 422-430 (1977-09-01)

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