738085

Isophorone-2,4,4,6,6-d₅

97 atom % D, 95% (CP)

• Synonym(s): 3,5,5-Trimethyl-2-cyclohexen-1-one-2,4,4,6,6-d₅
• Empirical Formula (Hill Notation): C₉H₉D₅O
• CAS Number: 1262769-87-8
• Molecular Weight: 143.24
• MDL number: MFCD18632583
• UNSPSC Code: 12352116
• PubChem Substance ID: 329765248
• NACRES: NA.24

Properties

• isotopic purity: 97 atom % D
• Quality Level: 200
• 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
• SMILES string: [2H]C1=C(C)C([2H])([2H])C(C)(C)C([2H])([2H])C1=O
• InChI: 1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i4D,5D2,6D2
• InChI key: HJOVHMDZYOCNQW-FIFBNPHPSA-N

Description

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.

Safety Information

• 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_germany: WGK 1
• flash_point_f: 204.8 °F - closed cup
• flash_point_c: 96.0 °C - closed cup