3,5,5-Trimethylhexanal
ALDRICH/303550 - 95%
CAS Number: 5435-64-3
Empirical Formula (Hill Notation): C9H18O
Molecular Weight: 142.24
EC Number: 226-603-0
MDL Number: MFCD00010441
Linear Formula: (CH3)3CCH2CH(CH3)CH2CHO
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 303550-100ML.
ATR-IR Spectra for 3,5,5-Trimethylhexanal.
| assay | 95% |
| bp | 67-68 °C/2.5 mmHg (lit.) |
| density | 0.817 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | aldehyde |
| InChI | 1S/C9H18O/c1-8(5-6-10)7-9 |
| InChI key | WTPYRCJDOZVZON-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(CC=O)CC(C)(C)C |
| Application: | 3,5,5-Trimethylhexanal was used in preparation of gem-dithiols via reaction with hydrogen sulfide. |
| Packaging: | 100 mL in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H315 - H317 - H412 |
| Precautionary statements | P210 - P273 - P280 - P302 + P352 |
| Hazard Codes | Xn |
| Risk Statements | 10-36/38-43-52/53-65 |
| Safety Statements | 26-36/37-62 |
| RIDADR | UN 1989C 3 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 93.2 °F - closed cup |
| Flash Point(C) | 34 °C - closed cup |
| Purity | 95% |
| bp | 67-68 °C/2.5 mmHg (lit.) |
| Density | 0.817 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |