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Merck
CN

617180

Bis(2-ethylhexyl)phthalate-3,4,5,6-d4

98 atom % D

Synonym(s):

DEHP-3,4,5,6-d4, Deuterated DEHP, Deuterated bis(2-ethylhexyl)phthalate, Dioctyl phthalate-3,4,5,6-d4, Phthalic acid-3,4,5,6-d4 bis(2-ethylhexyl ester)

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About This Item

Empirical Formula (Hill Notation):
C24D4H34O4
CAS Number:
93951-87-2
Molecular Weight:
394.58
NACRES:
NA.12
PubChem Substance ID:
24874831
UNSPSC Code:
85151701
MDL number:
MFCD00143759

Key Documents

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Product Name

Bis(2-ethylhexyl)phthalate-3,4,5,6-d4, 98 atom % D

InChI

1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/i11D,12D,15D,16D

SMILES string

[2H]c1c([2H])c([2H])c(C(=O)OCC(CC)CCCC)c(c1[2H])C(=O)OCC(CC)CCCC

InChI key

BJQHLKABXJIVAM-SAQXESPHSA-N

isotopic purity

98 atom % D

assay

99% (CP)

form

liquid

bp

231 °C/5 mmHg (lit.)

mp

-50 °C (lit.)

density

0.996 g/mL at 25 °C

mass shift

M+4

storage temp.

room temp

Quality Level

200

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Application

Bis(2-ethylhexyl)phthalate-3,4,5,6-d4 is used to investigate the influence of environmentally relevant dose of DEHP on adipogenesis in the human cell culture model SGBS. It is can be used to study the quantify indoor phthalate ester degradation through both biotic and abiotic mechanisms.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Health hazard
GHS08

signalword

Danger

hcodes

H360

Hazard Classifications

Repr. 1B

Storage Class

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

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBF0313
MBBD9787
MBBD5452
MBBD5431
MBBD4563

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Xiaowei Liu et al.
Environmental science and pollution research international, 22(14), 10690-10698 (2015-03-11)
The first nationwide survey of six phthalates (diethyl phthalate (DEP); dimethyl phthalate (DMP); di-n-butyl phthalate (DBP); butyl benzyl phthalate (BBP); bis(2-ethylhexyl) phthalate (DEHP); din-octyl phthalate (DnOP)) in drinking waters from waterworks was conducted across seven geographical zones in China. Of

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