Isobutyl isobutyrate
ALDRICH/537632 - ≥98%
Synonym: 2-Methylpropyl 2-methylpropanoate
CAS Number: 97-85-8
Empirical Formula (Hill Notation): C8H16O2
Molecular Weight: 144.21
EC Number: 202-612-5
MDL Number: MFCD00008916
Linear Formula: (CH3)2CHCO2CH2CH(CH3)2
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: 537632-1L.
ATR-IR Spectra for 2-Methylpropyl 2-methylpropanoate.
| assay | ≥98% |
| autoignition temp. | 810 °F |
| bp | 145-152 °C (lit.) |
| density | 0.855 g/mL at 25 °C (lit.) |
| InChI | 1S/C8H16O2/c1-6(2)5-10-8( |
| InChI key | RXGUIWHIADMCFC-UHFFFAOYSA |
| mp | −81 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)COC(=O)C(C)C |
| vapor pressure | 1 mmHg ( 39.9 °C) |
| Application: | Isobutyl isobutyrate can be used:• In the zinc-catalyzed hydroboration reaction with pinacolborane (HBpin) as a reducing agent. • Asa low polarity solvent in the preparation of high-quality sulfide films. |
| General description: | Isobutyl isobutyrate is a long-chain ester widely utilized as a solvent, additive, or raw material. |
| Packaging: | 1 L in glass bottle |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 - P370 + P378 |
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 16-26-36 |
| RIDADR | UN 2528 3 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 104.0 °F - closed cup |
| Flash Point(C) | 40 °C - closed cup |
| Purity | ≥98% |
| bp | 145-152 °C (lit.) |
| mp | −81 °C (lit.) |
| Density | 0.855 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |