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Key Documents

616494

Sigma-Aldrich

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

98 atom % D

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About This Item

Empirical Formula (Hill Notation):
C16D4H18O4
CAS Number:
Molecular Weight:
282.37
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:

isotopic purity

98 atom % D

Quality Level

bp

327 °C (lit.)

density

1.039 g/mL at 25 °C

format

neat

mass shift

M+4

SMILES string

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

InChI

1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3/i5D,6D,7D,8D

InChI key

MGWAVDBGNNKXQV-KDWZCNHSSA-N

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Related Categories

Application

This product may be used as an analytical standard.

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 hazardEnvironment

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1B

Storage Class

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

wgk_germany

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup


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