Isobutyl isobutyrate
ALDRICH/W218901 - ≥97%
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
| application(s) | flavors and fragrances |
| assay | ≥97% |
| autoignition temp. | 810 °F |
| biological source | synthetic |
| bp | 145-152 °C (lit.) |
| density | 0.855 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | Kosher |
| InChI | 1S/C8H16O2/c1-6(2)5-10-8( |
| InChI key | RXGUIWHIADMCFC-UHFFFAOYSA |
| mp | −81 °C (lit.) |
| organoleptic | ethereal; fruity |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | FDA 21 CFR 172.515 |
| SMILES string | CC(C)COC(=O)C(C)C |
| vapor pressure | 1 mmHg ( 39.9 °C) |
| Disclaimer: | For R&D or non-EU Food use. Not for retail sale. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 4 kg in steel drum |
| 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 | ≥97% |
| bp | 145-152 °C (lit.) |
| mp | −81 °C (lit.) |
| Density | 0.855 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2189 |
| UNSPSC | 12164502 |