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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:
358730-88-8
Molecular Weight:
282.37
MDL number:
MFCD01861606
UNSPSC Code:
12352200
PubChem Substance ID:
329759613

isotopic purity

98 atom % D

Quality Level

200

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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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
GHS08,GHS09

Signal Word

Danger

Hazard Statements

H360FD - H410

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Certificates of Analysis (COA)

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