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Merck
CN

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:
2528-16-7
Molecular Weight:
256.25
UNSPSC Code:
77101502
NACRES:
NA.24
PubChem Substance ID:
329769744
EC Number:
219-771-1
Beilstein/REAXYS Number:
1884373
MDL number:
MFCD00020279

Key Documents

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Product Name

mono-Benzyl phthalate, analytical standard

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

100

Related Categories

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).

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).

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCL5389
BCCG4569
BCCB6049
BCBS5006V

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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
Monitoring of phthalic acid monoesters in river water by solid-phase extraction and GC-MS determination
Suzuki T, et al.
Environmental Science & Technology, 35(18), 3757-3763 (2001)
Kelly K Ferguson et al.
Environmental research, 111(5), 718-726 (2011-02-26)
Phthalate esters are a class of compounds utilized extensively in widely-distributed consumer goods, and have been associated with various adverse health outcomes in previous epidemiologic research. Some of these health outcomes may be the result of phthalate-induced increases in oxidative
Urinary phthalate metabolites and male reproductive function parameters in Chongqing general population, China
Han X, et al.
International Journal of Hygiene and Environmental Health, 217(2-3), 271-278 (2014)
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
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