Isophorone-2,4,4,6,6-d₅

Name: Isophorone-2,4,4,6,6-d<SUB>5</SUB>
Brand: ALDRICH

97 atom % D, 95% (CP)

Synonym(s):

3,5,5-Trimethyl-2-cyclohexen-1-one-2,4,4,6,6-d₅

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About This Item

Empirical Formula (Hill Notation):

C₉H₉D₅O

CAS Number:

1262769-87-8

Molecular Weight:

143.24

NACRES:

NA.24

PubChem Substance ID:

329765248

UNSPSC Code:

12352116

MDL number:

MFCD18632583

Key Documents

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Product Name

Isophorone-2,4,4,6,6-d₅, 97 atom % D, 95% (CP)

InChI

1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i4D,5D2,6D2

SMILES string

[2H]C1=C(C)C([2H])([2H])C(C)(C)C([2H])([2H])C1=O

InChI key

HJOVHMDZYOCNQW-FIFBNPHPSA-N

isotopic purity

97 atom % D

assay

95% (CP)

form

liquid

technique(s)

mass spectrometry (MS): suitable

bp

213-214 °C (lit.)

mp

-8 °C (lit.)

density

0.956 g/mL at 25 °C

mass shift

M+5

storage temp.

−20°C

Quality Level

200

Related Categories

Chemistry & Biochemicals

Stable Isotopes

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This Item	809640	709549	809276
Sigma-Aldrich 738085 Isophorone-2,4,4,6,6-d₅	Sigma-Aldrich 809640 Dehydroepiandrosterone-2,2,3,4,4-d₅	Sigma-Aldrich 709549 Dehydroepiandrosterone-2,2,3,4,4,6-d₆	Sigma-Aldrich 809276 Tetrahydrocortisone-2,2,3,4,4-d₅ solution
technique(s) mass spectrometry (MS): suitable	technique(s) mass spectrometry (MS): suitable	technique(s) mass spectrometry (MS): suitable	technique(s) mass spectrometry (MS): suitable
isotopic purity 97 atom % D	isotopic purity ≥98 atom % D	isotopic purity 97 atom % D	isotopic purity ≥98 atom % D
assay 95% (CP)	assay ≥97% (CP)	assay 98% (CP)	assay ≥98% (CP)
mass shift M+5	mass shift M+5	mass shift M+6	mass shift M+5
Quality Level 200	Quality Level 200	Quality Level 200	Quality Level 200
form liquid	form powder	form powder	form liquid

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

GHS08,GHS07

signalword

Warning

hcodes

H302 + H312,H315,H319,H335,H351

pcodes

P202 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

204.8 °F - closed cup

flash_point_c

96.0 °C - closed cup

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Isophorone-2,4,4,6,6-d5