617180

Sigma-Aldrich

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

98 atom % D

Synonym(s):
Deuterated bis(2-ethylhexyl)phthalate, Dioctyl phthalate-3,4,5,6-d4, Deuterated DEHP, DEHP-3,4,5,6-d4, Phthalic acid-3,4,5,6-d4 bis(2-ethylhexyl ester)
Empirical Formula (Hill Notation):
C24D4H34O4
CAS Number:
Molecular Weight:
394.58
MDL number:
PubChem Substance ID:
NACRES:
NA.12

Quality Level

isotopic purity

98 atom % D

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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Packaging

100 mg in ampule
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

Signal Word

Danger

Hazard Statements

hazcat

Repr. 1B

storage_class_code

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

WGK Germany

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Certificate of Origin

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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