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Merck
CN

49617

Dihexyl phthalate

analytical standard

Synonym(s):

1,2-Benzenedicarboxylic acid 1,2-dihexyl ester, Di-n-hexyl phthalate, Phthalic acid dihexyl ester

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About This Item

Empirical Formula (Hill Notation):
C20H30O4
CAS Number:
84-75-3
Molecular Weight:
334.45
UNSPSC Code:
77101502
NACRES:
NA.24
PubChem Substance ID:
329757486
EC Number:
201-559-5
Beilstein/REAXYS Number:
1886839
MDL number:
MFCD00043720

Key Documents

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Product Name

Dihexyl phthalate, analytical standard

InChI key

KCXZNSGUUQJJTR-UHFFFAOYSA-N

InChI

1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

SMILES string

O=C(OCCCCCC)C1=CC=CC=C1C(OCCCCCC)=O

grade

analytical standard

assay

≥99.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.486-1.489

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

Dihexyl phthalate may be used as an analytical standard for the determination of the analyte in food samples, beverages, and bottled water by various chromatography techniques.

General description

Dihexyl phthalate, a phthalic acid ester, is generally found in food and beverage products. It is used in cosmetics, and as an additive and a plasticizer in plastic production and food packaging materials. Dihexyl phthalate is regarded as a common environmental contaminant.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

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

Health hazard
GHS08

signalword

Danger

hcodes

H360FD

Hazard Classifications

Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

350.6 °F

flash_point_c

177 °C

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN3126
BCCL7269
BCCK5610
BCCJ7135
BCCH9656

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Improved method for rapid detection of phthalates in bottled water by gas chromatography-mass spectrometry
Otero P, et al.
Journal of Chromatography. B, Biomedical Applications, 997(24), 229-235 (2015)
Yang Hongjun et al.
Environmental monitoring and assessment, 185(10), 8489-8500 (2013-04-24)
The Yellow River Delta (YRD) is a typical agricultural and petrochemical industrial area of China. To assess the current status of phthalate esters (PAEs) of soil residues, soil samples (0∼20 cm) (n = 82) were collected in Bincheng District, at the geographic center
Yu Liu et al.
Journal of analytical methods in chemistry, 2013, 419349-419349 (2013-04-12)
The presence of phthalate esters (PAEs) in the environment has gained a considerable attention due to their potential impacts on public health. This study reports the first data on the occurrence of 15 PAEs in the water near the Mopanshan
Shaoyou Lu et al.
Chemosphere, 202, 726-732 (2018-04-01)
Temporal variability of phthalates (PAEs) in PM2.5 from Shenzhen during 2015-2016 was measured and the associated human exposure via inhalation was assessed. The PM2.5 concentrations ranged from 30.7 to 115 μg m-3, greater than the air quality guidelines of interim target-3 (10-15 μg m-3)
Simultaneous determination of 11 phthalate esters in bottled beverages by graphene oxide coated hollow fiber membrane extraction coupled with supercritical fluid chromatography
Lou C, et al.
Analytica Chimica Acta, 1007(24), 71-79 (2018)
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