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About This Item
Empirical Formula (Hill Notation):
C11H13NO3S
CAS Number:
Molecular Weight:
239.29
UNSPSC Code:
41116107
eCl@ss:
32160406
PubChem Substance ID:
NACRES:
NA.24
MDL number:
SMILES string
CC(=O)N[C@@H](CSc1ccccc1)C(O)=O
InChI key
CICOZWHZVMOPJS-JTQLQIEISA-N
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)/t10-/m0/s1
grade
analytical standard
assay
≥98.0% (HPLC)
optical activity
[α]/D -25.0±2.0°, c = 1 in ethanol
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
application(s)
clinical testing
format
neat
Quality Level
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Anthony R Tricker et al.
Regulatory toxicology and pharmacology : RTP, 64(2 Suppl), S35-S44 (2012-09-04)
A randomized, controlled, open-label, parallel-group, single-center study to determine biomarkers of exposure to nine selected harmful and potentially harmful constituents (HPHC) in cigarette smoke and urinary excretion of mutagenic material in 160 male and female subjects smoking Marlboro cigarettes (6
Kate Jones et al.
The Annals of occupational hygiene, 55(3), 248-252 (2011-03-16)
This paper reports the assessment of worker exposure to high levels of benzene (up to 18 p.p.m. 8 h time weighted average, weekly average) during tunnelling on a contaminated land site (former gas works). Although respiratory and personal protection was
P Lovreglio et al.
Giornale italiano di medicina del lavoro ed ergonomia, 33(1), 41-46 (2011-03-23)
To verify whether urinary benzene is an applicable biomarker of occupational exposure to very low concentrations of benzene, considering the influence of cigarette smoke and benzene-toluene co-exposure. 23 filling station attendants with occupational exposure to benzene and 31 controls were
Antonella Mansi et al.
Toxicology letters, 213(1), 57-62 (2011-02-09)
The identification of reliable biomarkers is critical for the assessment of occupational exposure of benzene: S-phenylmercapturic acid (SPMA) and trans,trans-muconic acid (t,t-MA) are the most currently used. t,t-MA is an open-ring metabolite, but it is also a metabolite of the
Silvia Fustinoni et al.
Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals, 16(4), 334-345 (2011-03-23)
Benzene is a ubiquitous pollutant; smoking habit, genetic polymorphisms, and analytical difficulties impact the identification of the best biomarker. To apply a systematic quantitative approach to evaluate urinary benzene (BEN-U) and S-phenylmercapturic acid (SPMA) as biomarkers of low benzene exposures.
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