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89505

Supelco

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
Beilstein:
1884373
EC Number:
MDL number:
UNSPSC Code:
77101502
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

SMILES string

OC(C1=C(C(OCC2=CC=CC=C2)=O)C=CC=C1)=O

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)

InChI key

XIKIUQUXDNHBFR-UHFFFAOYSA-N

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).

Recommended products

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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Sharon Daniel et al.
Environment international, 143, 105894-105894 (2020-07-18)
Emerging evidence suggests that phthalate exposure may be associated with behavior problems in children and that these associations may be sex specific. In a follow up study of 411 inner-city minority mothers and their children, mono-n-butyl phthalate (MnBP), monobenzyl phthalate
Determination of three phthalate metabolites in human urine using on-line solid-phase extraction?liquid chromatography?tandem mass spectrometry
Kato K, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 788(2), 407-411 (2003)
Liangpo Liu et al.
Environment international, 144, 106052-106052 (2020-08-22)
Infantile development of phthalate metabolism is crucial for risk assessment of endocrine disruption and has important toxico/pharmacokinetic implications. To characterize temporal variability in urinary phthalate metabolites in infants and to examine their growth-dependent detoxification. In this cohort study, urine samples
Xiang-Rong Xu et al.
Journal of hazardous materials, 164(2-3), 527-532 (2008-09-27)
n-Butyl benzyl phthalate (BBP) has been classified as endocrine disrupting compound and priority pollutant. Effects of TiO(2) dosage, pH, initial BBP concentration and co-existing substances on the degradation of BBP by TiO(2)/UV process were investigated. The optimal TiO(2) dosage and
Lizbeth López-Carrillo et al.
Environmental health perspectives, 118(4), 539-544 (2010-04-07)
Phthalates, ubiquitous environmental pollutants that may disturb the endocrine system, are used primarily as plasticizers of polyvinyl chloride and as additives in consumer and personal care products. In this study, we examined the association between urinary concentrations of nine phthalate

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