3-Pentanone
ALDRICH/W510106 - ≥99%
Synonym: Diethyl ketone
CAS Number: 96-22-0
Empirical Formula (Hill Notation): C5H10O
Molecular Weight: 86.13
EC Number: 202-490-3
MDL Number: MFCD00009320
Linear Formula: CH3CH2COCH2CH3
Product Type: Chemical
| application(s) | flavors and fragrances |
| assay | ≥99% |
| autoignition temp. | 845 °F |
| biological source | synthetic |
| bp | 101.5 °C (lit.) |
| density | 0.813 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| form | liquid |
| InChI | 1S/C5H10O/c1-3-5(6)4-2/h3 |
| InChI key | FDPIMTJIUBPUKL-UHFFFAOYSA |
| mp | −42 °C (lit.) |
| organoleptic | ethereal |
| pH | 6.2 (20 °C, 50 g/L) |
| Quality Level | 300  |
| refractive index | n |
| SMILES string | CCC(=O)CC |
| vapor density | 3 (vs air) |
| vapor pressure | 20 mmHg ( 28 °C) |
| 28.1 mmHg ( 20 °C) |
| Disclaimer: | For R&D or non-EU Food use. Not for retail sale. |
| General description: | 3-Pentanone is a volatile alcohol that is reported to occur in amaranthus, guava, and roasted coffee. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 4, 8 kg in steel drum |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H319 - H335 - H336 |
| Precautionary statements | P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-37-66-67 |
| Safety Statements | 9-16-25-33 |
| RIDADR | UN1156 - class 3 - PG 2 - Diethyl ketone |
| WGK Germany | WGK 1 |
| Flash Point(F) | 44.6 °F |
| Flash Point(C) | 7 °C |
| Supplemental Hazard Statements | EUH066 |
| Purity | ≥99% |
| bp | 101.5 °C (lit.) |
| mp | −42 °C (lit.) |
| Density | 0.813 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12164502 |