4,4'-DDT 13C12 100 µg/mL in Acetone

Catalog Number	ACM104215841-2
CAS	104215-84-1
Structure
Synonyms	Benzene-13C6, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro- (9CI), 4,4'-DDT 13C12, 4,4'-DDT (ring-13C12)
IUPAC Name	1-chloro-4-[2,2,2-trichloro-1-(4-chloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)ethyl](1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
Molecular Weight	366.4
Molecular Formula	13C12C2H9Cl5
Canonical SMILES	Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)C([13c]2[13cH][13cH][13c](Cl)[13cH][13cH]2)C(Cl)(Cl)Cl
InChI	InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
Storage	+20 °C
Accurate Mass	363.9549
Format	Single Solution
Shipping Temperature	+20 °C
SIL Type	Carbon

Case Study

13C12-4,4'-DDT Internal Standard for Organochlorine Pesticide Analysis in Breast Milk

Kao, Cheng-Chih, et al. International Journal of Environmental Research and Public Health, 2019, 16(8), 1438.

The research examined how organochlorine pesticide residues found in breast milk might affect both thyroid hormone levels in cord blood and neurodevelopmental outcomes for infants. Researchers collected breast milk samples within the first month after childbirth to analyze OCPs using high-resolution GC-MS with isotopically labeled internal standards 13C12-4,4'-DDT and pentachloronitrobenzene. Method validation demonstrated high accuracy (recovery rates: 96.7-105%) and precision (relative standard deviations <20% for blind samples), with detection limits (LODs) for 20 OCPs ranging from 0.0151 to 0.0540 ng/g lipid.
Cord blood thyroid and growth hormone levels were measured post-delivery, and infant neurodevelopment was assessed at 10-12 months of age. Key findings revealed significant negative associations between breast milk OCPs and neurodevelopmental outcomes: 4,4'-DDT correlated with reduced cognitive and language scores, while trans-chlordane (trans-CHL) was linked to lower social-emotional scores. Multivariate analyses (RDA, MANCOVA) confirmed inverse relationships between most OCPs and multiple Bayley-III domains. Thyroid-stimulating hormone (TSH) and insulin-like growth factor-1 (IGF-1) also showed negative associations with specific OCPs.
Notably, although 4,4'-DDE was the predominant OCP in breast milk, no significant differences in cord blood thyroid or growth hormones were observed between high- and low-exposure groups. Similarly, 4,4'-DDT showed no direct association with cord blood hormones but exhibited clear negative impacts on neurodevelopmental outcomes.

Application of 13C12-4,4'-DDT in Evaluating Semivolatile Organic Compound Samplers

He, Jun, et al. Atmospheric Environment, 2010, 44(7), 884-891.

This study evaluated the performance of a polyurethane foam (PUF) disk-based passive air sampler (PAS) for collecting atmospheric semivolatile organic compounds (SVOCs), including polycyclic aromatic hydrocarbons (PAHs) and organochlorine pesticides (OCPs). Data from PAS were compared with active bulk air sampling (AAS).
Analytical Standards
The surrogate standards for PAHs included anthracene-d10, fluoranthene-d10, and benzo[e]pyrene-d12 while OCPs used 13C12-PCB 8 and 13C12-PCB 77 as their standards. PAH internal standards included phenanthrene-d10 and pyrene-d10 along with benzo[a]pyrene-d12 while OCPs used 13C6-tetrachlorobenzene as the internal standard. The depuration experiments incorporated 13C6-HCB together with 13C12-4,4'-DDT and 13C12-PCB 101.
Key Findings
One-way ANOVA revealed no significant differences in chemical profiles between PAS and AAS samples. The air-side mass transfer coefficient (*k*_A) for PAS, derived from depuration compound loss (13C6-HCB, 13C12-4,4'-DDT, and 13C12-PCB 101, each spiked at 1000 ng), averaged 0.12 ± 0.04 m s^-1. The PUF disk (365 cm²) exhibited an average sampling rate of 3.78 ± 1.83 m³ d^-1 over 68 days. Most PAHs and all OCPs showed linear uptake throughout the sampling period, while naphthalene, acenaphthylene, acenaphthene, and fluorene transitioned to a curvilinear phase after 30 days.

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4,4'-DDT 13C12 100 µg/mL in Acetone (104215-84-1)

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