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617180

Sigma-Aldrich

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

98 atom % D

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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)
Empirical Formula (Hill Notation):
C24D4H34O4
CAS Number:
93951-87-2
Molecular Weight:
394.58
MDL number:
MFCD00143759
UNSPSC Code:
12352200
PubChem Substance ID:
24874831
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

Assay

99% (CP)

bp

231 °C/5 mmHg (lit.)

mp

-50 °C (lit.)

density

0.996 g/mL at 25 °C

mass shift

M+4

SMILES string

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

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

InChI key

BJQHLKABXJIVAM-SAQXESPHSA-N

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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

Signal Word

Danger

Hazard Statements

H360

Hazard Classifications

Repr. 1B

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

美国出口管控1C298产品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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