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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:
12352200
PubChem Substance ID:
24872434
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

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.

Hazard Statements

H413

Precautionary Statements

P273 - P501

Hazard Classifications

Aquatic Chronic 4

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Certificates of Analysis (COA)

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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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