Specifications
- Purity
- ≥98% (HPLC)
- Appearance
- White crystalline powder
- Identity
- 1H-NMR
Properties
- Solvents
- DMSO, DMF, ethanol
- Melting Point
- 129 °C
- Optical Activity
- [α]/D -25.0±2.0°, c = 1 in ethanol
Downloads
- Safety Data Sheet
- CDX P0091 MSDS.pdf
Category: Amino Acids, Peptides, Proteins
S-Phenylmercapturic acid (S-PMA) is an important metabolite of benzene used as a biomarker for benzene exposure in humans. In industrial workers, urinary concentrations of up to 543 µg/g creatinine have been detected. In a study of benzene exposure through tobacco smoke inhalation in humans, smokers had a urinary concentration of 9.1 µg S-PMA/g creatinine compared with 4.8 µg S-PMA/g creatinine in non-smokers. S-PMA can be sensitively and reliably determined using capillary gas chromatographic/mass spectrometric method. Due to its sensitivity the method is suitable not only for determining concentrations relevant to occupational medicine, but also those which occur in the ecological range. Compound can be used as analytical reference material.
Synonyms | N-Acetyl-S-phenyl-L-cysteine, (R)-2-Acetamido-3-(phenylthio)propanoic acid, NSC 17197, S-PMA |
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Purity | ≥98% (HPLC) |
Appearance | White crystalline powder |
CAS-Number | 4775-80-8 |
Molecular Formula | C11H13NO3S |
Molecular Weight | 239.29 |
Identity | 1H-NMR |
Solvents | DMSO, DMF, ethanol |
Melting Point | 129 °C |
Optical Activity | [α]/D -25.0±2.0°, c = 1 in ethanol |
Smiles | CC(N[C@H](C(O)=O)CSC1=CC=CC=C1)=O |
InChi Key | CICOZWHZVMOPJS-UHFFFAOYSA-N |
Shipping | AMBIENT |
Short Term Storage | -20°C |
Long Term Storage | -20°C |
Handling Advice | Protect from light and moisture. |
Use / Stability | Stable for at least 2 years after receipt when stored at -20°C. |
Transportation | Not dangerous goods |
References | (1) P. Stommel, et al., Carcinogenesis 10, 279 (1989), (2) N.J. van Sittert, et al., Br. J. Ind. Med. 50, 460 (1993), (3) J.P. Aston, et al., Biomarkers 7, 103 (2002), (4) P.B. Farmer, et al., Chem. Biol. Interact. 153-154, 97 (2005), (5) C.A. Haiman, et al., PLoS One 11, e0150641 (2016), (6) M.P.R. Mendes, et al., J. Chromatogr. B Analyt. Technol. Biomed. Life Sci. 1063, 136 (2017) |
InChi | InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) |
Quantity | 100 mg, Bulk |