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Merck
CN

42078

mono-[(2RS)-2-Ethyl-5-oxohexyl] phthalate

analytical standard

Synonym(s):

1,2-Benzenedicarboxylic acid 1-(2-ethyl-5-oxohexyl) ester, mono-(2-Ethyl-5-oxohexyl) phthalate

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About This Item

Empirical Formula (Hill Notation):
C16H20O5
CAS Number:
40321-98-0
Molecular Weight:
292.33
UNSPSC Code:
77101502
NACRES:
NA.24
PubChem Substance ID:
329756184
MDL number:
MFCD01748352
Beilstein/REAXYS Number:
920863

Key Documents

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Product Name

mono-[(2RS)-2-Ethyl-5-oxohexyl] phthalate, analytical standard

InChI key

HCWNFKHKKHNSSL-UHFFFAOYSA-N

SMILES string

O=C(OCC(CC)CCC(C)=O)C1=CC=CC=C1C(O)=O

InChI

1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)

grade

analytical standard

assay

≥95.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.516-1.520

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

storage temp.

2-8°C

Quality Level

100

Related Categories

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

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH3423
BCBW6854
BCBW4074
BCBW3300

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Yeni Kim et al.
Environmental health perspectives, 119(10), 1495-1500 (2011-07-09)
There are increasing concerns over adverse effects of prenatal phthalate exposure on the neurodevelopment of infants. Our goal was to explore the association between prenatal di(2-ethylhexyl) phthalate and dibutyl phthalate exposure and the Mental and Psychomotor Developmental Indices (MDI and
Yingshuang Zhu et al.
Environment international, 88, 67-73 (2016-01-02)
Total urinary phthalate metabolites (the free plus glucuronidated forms) have been frequently measured in the general population. However, data are limited on the free forms which may be more bioactive, especially for sensitive population such as pregnant women. Here the
Johanna Inhyang Kim et al.
Journal of attention disorders, 25(2), 161-170 (2018-05-22)
Objective: We investigated the interaction effect between the methylation of dopamine receptor D4 (DRD4) and phthalate exposure in ADHD on continuous performance test (CPT) variables. Method: Urine concentrations of mono-(2-ethyl-5-hydroxyhexyl) phthalate (MEHHP), mono-(2-ethyl-5-oxohexyl) phthalate (MEOHP), and mono-n-butyl phthalate (MBP) were
Soo-Churl Cho et al.
Environmental health perspectives, 118(7), 1027-1032 (2010-03-03)
Concern over phthalates has emerged because of their potential toxicity to humans. We investigated the relationship between the urinary concentrations of phthalate metabolites and children's intellectual functioning. This study enrolled 667 children at nine elementary schools in five South Korean
Jacob Bejder et al.
Medicine and science in sports and exercise, 53(1), 236-243 (2020-07-23)
Autologous blood transfusion is performance enhancing and prohibited in sport but remains difficult to detect. This study explored the hypothesis that an untargeted urine metabolomics analysis can reveal one or more novel metabolites with high sensitivity and specificity for detection
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