Isovaleraldehyde
ALDRICH/W269204 - ≥97%, FG
Synonym: 3-Methylbutanal; 3-
CAS Number: 590-86-3
Empirical Formula (Hill Notation): C5H10O
Molecular Weight: 86.13
EC Number: 209-691-5
MDL Number: MFCD00007014
Linear Formula: (CH3)2CHCH2CHO
Product Type: Chemical
| agency | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥97% |
| autoignition temp. | 464 °F |
| biological source | synthetic |
| bp | 90 °C (lit.) |
| density | 0.803 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| Halal | |
| Kosher | |
| InChI | 1S/C5H10O/c1-5(2)3-4-6/h4 |
| InChI key | YGHRJJRRZDOVPD-UHFFFAOYSA |
| organoleptic | chocolate; ethereal; fruity; peach; sour |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FDA 21 CFR 117 | |
| SMILES string | [H]C(=O)CC(C)C |
| vapor density | 2.96 (vs air) |
| vapor pressure | 30 mmHg ( 20 °C) |
| General description: | Isovaleraldehyde is one of the flavor compounds identified in wheat, corn-grits and tequila. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 4, 8, 20 kg in composite drum |
| Symbol |    GHS02,GHS07,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H317 - H319 - H335 - H411 |
| Precautionary statements | P210 - P233 - P273 - P280 - P303 + P361 + P353 - P305 + P351 + P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36/37-43 |
| Safety Statements | 9-16-24-26-37 |
| RIDADR | UN 1989BE 3 / PGII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 32.9 °F - closed cup |
| Flash Point(C) | 0.5 °C - closed cup |
| Purity | ≥97% |
| bp | 90 °C (lit.) |
| Density | 0.803 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 2692 |
| UNSPSC | 12164502 |