Isophorone-2,4,4,6,6-d5
ALDRICH/738085 - 97 atom % D, 95% (CP)
Synonym: 3,5,5-
CAS Number: 1262769-87-8
Empirical Formula (Hill Notation): C9H9D5O
Molecular Weight: 143.24
MDL Number: MFCD18632583
Linear Formula: C9H9D5O
Product Type: Chemical
| assay | 95% (CP) |
| bp | 213-214 °C (lit.) |
| density | 0.956 g/mL at 25 °C |
| form | liquid |
| InChI | 1S/C9H14O/c1-7-4-8(10)6-9 |
| InChI key | HJOVHMDZYOCNQW-FIFBNPHPSA |
| isotopic purity | 97 atom % D |
| mass shift | M+5 |
| mp | -8 °C (lit.) |
| Quality Level | 200 ![]() |
| SMILES string | [2H]C1=C(C)C([2H])([2H])C |
| storage temp. | −20°C |
| technique(s) | mass spectrometry (MS): suitable |
| 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 . |
| Symbol | ![]() GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H302 + H312 - H315 - H319 - H335 - H351 |
| Precautionary statements | P201 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313 |
| Hazard Codes | Xn |
| Risk Statements | 21/22-36/37-40 |
| Safety Statements | 13-23-36/37/39-46 |
| RIDADR | UN 3082 9 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 204.8 °F - closed cup |
| Flash Point(C) | 96.0 °C - closed cup |
| Purity | 95% (CP) |
| bp | 213-214 °C (lit.) |
| mp | -8 °C (lit.) |
| Density | 0.956 g/mL at 25 °C |
| Storage Temp. | −20°C |
| UNSPSC | 12352116 |



