89505
mono-Benzyl phthalate
analytical standard
Synonym(s):
1,2-Benzenedicarboxylic acid 1-(phenylmethyl) ester, Phthalic acid monobenzyl ester
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About This Item
Empirical Formula (Hill Notation):
C15H12O4
CAS Number:
Molecular Weight:
256.25
UNSPSC Code:
77101502
NACRES:
NA.24
PubChem Substance ID:
EC Number:
219-771-1
Beilstein/REAXYS Number:
1884373
MDL number:
InChI key
XIKIUQUXDNHBFR-UHFFFAOYSA-N
InChI
1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
SMILES string
OC(C1=C(C(OCC2=CC=CC=C2)=O)C=CC=C1)=O
grade
analytical standard
assay
≥98.0% (HPLC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
impurities
≤0.5% water
mp
103-108 °C
application(s)
cleaning products
cosmetics
environmental
food and beverages
personal care
format
neat
Quality Level
General description
mono-Benzyl phthalate (MBzP) is a hydroxylated phthalate metabolite, identified as a major intermediate in the titanium dioxide (TiO2)/UV degradation of n-butyl benzyl phthalate (BBP). It is an endocrine disrupting compound and a priority pollutant found in diverse environmental samples. It finds applications as an industrial solvent and additive in a variety of products including adhesives, vinyl flooring products, car-care products, personal care products, etc. MBzP serves as an indicator or marker to determine the exposure to benzylbutyl phthalate (BBP).
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
mono-Benzyl phthalate may be used as an analytical reference standard for the quantification of the analyte in:
- Biological samples using high-performance liquid chromatography coupled to tandem mass spectrometry (HPLC-MS/MS).
- River water samples using gas chromatography coupled to mass spectrometry (GC-MS).
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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National Report on Human Exposure to Environmental Chemicals, 2 (2003)
Correlations between phthalate metabolites in urine, serum, and seminal plasma from young Danish men determined by isotope dilution liquid chromatography tandem mass spectrometry
Frederiksen H, et al.
Journal of Analytical Toxicology, 34(7), 400-410 (2010)
Susan M Duty et al.
Human reproduction (Oxford, England), 20(3), 604-610 (2004-12-14)
Phthalates are used in personal and consumer products, food packaging materials, and polyvinyl chloride plastics and have been measured in the majority of the general population of the USA. Consistent experimental evidence shows that some phthalates are developmental and reproductive
Gillian England-Mason et al.
Environment international, 142, 105892-105892 (2020-07-01)
Environmental health research has reported mixed findings on the associations between prenatal exposure to phthalates and parent-ratings of child behavioral problems. We examined the consistency of the associations between prenatal urinary phthalate concentrations and child behavior scores across two standardized
Jessie P Buckley et al.
Journal of exposure science & environmental epidemiology, 22(5), 468-475 (2012-07-05)
Human phthalate exposure is ubiquitous, but little is known regarding predictors of urinary phthalate levels. To explore this, 50 pregnant women aged 18-38 years completed two questionnaires on potential phthalate exposures and provided a first morning void. Urine samples were
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