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Merck
CN

488887

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
NACRES:
NA.12
PubChem Substance ID:
24872434
UNSPSC Code:
85151701
MDL number:
MFCD00144150

Key Documents

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Product Name

Dioctyl phthalate-3,4,5,6-d4, 98 atom % D

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

SMILES string

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

InChI key

MQIUGAXCHLFZKX-AMEAAFLOSA-N

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

Quality Level

200

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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

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
19806LO

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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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