MedKoo Cat#: 555856 | Name: DEET-Carboxylic Acid
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Description:

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

DEET ω-Carboxylic Acid, also known as DCBA, is a metabolite of DEET , an insect repellant commonly used to prevent contact with mosquitoes.

Chemical Structure

DEET-Carboxylic Acid
DEET-Carboxylic Acid
CAS#72236-23-8

Theoretical Analysis

MedKoo Cat#: 555856

Name: DEET-Carboxylic Acid

CAS#: 72236-23-8

Chemical Formula: C12H15NO3

Exact Mass: 221.1052

Molecular Weight: 221.26

Elemental Analysis: C, 65.14; H, 6.83; N, 6.33; O, 21.69

Price and Availability

Size Price Availability Quantity
100mg USD 950.00 2 Weeks
200mg USD 1,650.00 2 Weeks
500mg USD 2,250.00 2 Weeks
1g USD 3,650.00 2 Weeks
2g USD 6,050.00 2 Weeks
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Related CAS #
No Data
Synonym
DCBA; DEET ω-Carboxylic Acid; DEET-Carboxylic Acid; DEET omega-Carboxylic Acid
IUPAC/Chemical Name
3-[(Diethylamino)carbonyl]benzoic Acid
InChi Key
PXXLQQDIFVPNMP-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H15NO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
SMILES Code
O=C(O)C1=CC=CC(C(N(CC)CC)=O)=C1
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 221.26 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. Lewis RC, Cantonwine DE, Anzalota Del Toro LV, Calafat AM, Valentin-Blasini L, Davis MD, Baker SE, Alshawabkeh AN, Cordero JF, Meeker JD. Urinary biomarkers of exposure to insecticides, herbicides, and one insect repellent among pregnant women in Puerto Rico. Environ Health. 2014 Nov 19;13:97. doi: 10.1186/1476-069X-13-97. PMID: 25409771; PMCID: PMC4258050. 2. Kuklenyik P, Baker SE, Bishop AM, Morales-A P, Calafat AM. On-line solid phase extraction-high performance liquid chromatography-isotope dilution-tandem mass spectrometry approach to quantify N,N-diethyl-m-toluamide and oxidative metabolites in urine. Anal Chim Acta. 2013 Jul 17;787:267-73. doi: 10.1016/j.aca.2013.05.055. Epub 2013 Jun 6. PMID: 23830449; PMCID: PMC4629821.