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488887

Sigma-Aldrich

Dioctyl phthalate-3,4,5,6-d4

98 atom % D

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About This Item

Linear Formula:
C6D4[CO2CH2(CH2)6CH3]2
CAS Number:
93952-13-7
Molecular Weight:
394.58
MDL number:
MFCD00144150
UNSPSC Code:
85151701
PubChem Substance ID:
24872434
NACRES:
NA.12

isotopic purity

98 atom % D

assay

99% (CP)

refractive index

n20/D 1.486 (lit.)

bp

384 °C (lit.)

mp

−50 °C (lit.)

density

0.991 g/mL at 25 °C

mass shift

M+4

SMILES string

[2H]c1c([2H])c([2H])c(C(=O)OCCCCCCCC)c(c1[2H])C(=O)OCCCCCCCC

InChI

1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3/i13D,14D,17D,18D

InChI key

MQIUGAXCHLFZKX-AMEAAFLOSA-N

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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.

hcodes

H413

Hazard Classifications

Aquatic Chronic 4

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MBBB8836V
CC0648
TA1894V
TA0699V
11280AE

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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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