Methyl 4,4-dimethyl-3-oxopentanoate
ALDRICH/262404 - 99%
Synonym: Methyl pivaloylacetate
CAS Number: 55107-14-7
Empirical Formula (Hill Notation): C8H14O3
Molecular Weight: 158.19
EC Number: 259-481-2
MDL Number: MFCD00008847
Linear Formula: (CH3)3CCOCH2CO2CH3
Product Type: Chemical
ATR-IR Spectra for Methyl pivaloylacetate.
| assay | 99% |
| bp | 67-70 °C/13 mmHg (lit.) |
| density | 0.99 g/mL at 25 °C (lit.) |
| functional group | ester |
| ketone | |
| InChI | 1S/C8H14O3/c1-8(2,3)6(9)5 |
| InChI key | XTXCFTMJPRXBBC-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | COC(=O)CC(=O)C(C)(C)C |
| vapor pressure | 0.4 mmHg ( 20 °C) |
| Application: | Methyl 4,4-dimethyl-3-oxopentano • as substarte during InCl3-catalyzed syntheses of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives • in the preparation of neat α-oxoketene, carbomethoxypivaloylketen |
| Packaging: | 10 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 170.6 °F - closed cup |
| Flash Point(C) | 77 °C - closed cup |
| Purity | 99% |
| bp | 67-70 °C/13 mmHg (lit.) |
| Density | 0.99 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |