MedKoo Cat#: 581888 | Name: Isobutyl decanoate

Description:

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

A decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol.

Chemical Structure

Isobutyl decanoate
Isobutyl decanoate
CAS#30673-38-2

Theoretical Analysis

MedKoo Cat#: 581888

Name: Isobutyl decanoate

CAS#: 30673-38-2

Chemical Formula: C14H28O2

Exact Mass: 228.2100

Molecular Weight: 228.38

Elemental Analysis: Chemical Formula: Exact Mass: 89 Molecular Weight: 760 Elemental Analysis: C, 73.63; H, 12.36; O, 14.01

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 #
No Data
Synonym
Isobutyl decanoate; AI3-33574 Decanoic acid, isobutyl ester EINECS 250-281-0; UNII-ZYU8S7C4T7; Systematic Names Decanoic acid, 2-methylpropyl ester Isobutyl decanoate
IUPAC/Chemical Name
isobutyl decanoate
InChi Key
AXTPGRJJIGEOOY-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
SMILES Code
O=C(CCCCCCCCC)OCC(C)C
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 228.38 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
1: Wang Y, He L, Pan Q, Duan C, Wang J. Effects of Basal Defoliation on Wine Aromas: A Meta-Analysis. Molecules. 2018 Mar 28;23(4). pii: E779. doi: 10.3390/molecules23040779. Review. PubMed PMID: 29597302; PubMed Central PMCID: PMC6017958. 2: Lu Y, Voon MK, Huang D, Lee PR, Liu SQ. Combined effects of fermentation temperature and pH on kinetic changes of chemical constituents of durian wine fermented with Saccharomyces cerevisiae. Appl Microbiol Biotechnol. 2017 Apr;101(7):3005-3014. doi: 10.1007/s00253-016-8043-1. Epub 2016 Dec 12. PubMed PMID: 27957628. 3: Vararu F, Moreno-García J, Zamfir CI, Cotea VV, Moreno J. Selection of aroma compounds for the differentiation of wines obtained by fermenting musts with starter cultures of commercial yeast strains. Food Chem. 2016 Apr 15;197(Pt A):373-81. doi: 10.1016/j.foodchem.2015.10.111. Epub 2015 Nov 11. PubMed PMID: 26616963. 4: Reddy LV, Sudheer Kumar Y, Reddy OV. Analysis of volatile aroma constituents of wine produced from Indian mango (Mangifera indica L.) by GC-MS. Indian J Microbiol. 2010 Jun;50(2):183-91. doi: 10.1007/s12088-010-0028-7. Epub 2010 Mar 16. PubMed PMID: 23100826; PubMed Central PMCID: PMC3450322. 5: Dadgar D, Climax J, Lambe R, Darragh A. High-performance liquid chromatographic determination of certain salicylates and their major metabolites in plasma following topical administration of a liniment to healthy subjects. J Chromatogr. 1985 Aug 9;342(2):315-21. PubMed PMID: 4055952.