MedKoo Cat#: 534071 | Name: XUN98724

Description:

WARNING: This product is for research use only, not for human or veterinary use.

XUN98724, also known as 5oxo-MEHA, or Mono(2-ethyl-5-oxohexyl) adipate is a bioactive chemical. XUN98724 is a metabolite of di(2-​ethylhexyl)​adipate (DEHA), a common used plasticizer. XUN98724 may be used as a biomarkers of Exposure in Human Biomonitoring Applications. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

XUN98724
XUN98724
CAS#134998-72-4

Theoretical Analysis

MedKoo Cat#: 534071

Name: XUN98724

CAS#: 134998-72-4

Chemical Formula: C14H24O5

Exact Mass: 272.1624

Molecular Weight: 272.34

Elemental Analysis: C, 61.74; H, 8.88; O, 29.37

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Hexanedioic acid, mono(2-ethyl-5-oxohexyl) ester; Mono(2-ethyl-5-oxohexyl) adipate; XUN98724; XUN-98724; XUN 98724; 5oxo-MEHA;
IUPAC/Chemical Name
Hexanedioic acid, mono(2-ethyl-5-oxohexyl) ester
InChi Key
XLMWFRRVVDGMRV-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H24O5/c1-3-12(9-8-11(2)15)10-19-14(18)7-5-4-6-13(16)17/h12H,3-10H2,1-2H3,(H,16,17)
SMILES Code
O=C(OCC(CC)CCC(C)=O)CCCCC(O)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 272.34 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL