2,5-Hexanedione
ALDRICH/165131 - ≥98%
Synonym: Acetonylacetone
CAS Number: 110-13-4
Empirical Formula (Hill Notation): C6H10O2
Molecular Weight: 114.14
EC Number: 203-738-3
MDL Number: MFCD00008792
Linear Formula: CH3COCH2CH2COCH3
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: 165131-100G.
| assay | ≥98% |
| bp | 191 °C (lit.) |
| density | 0.973 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C6H10O2/c1-5(7)3-4-6(2 |
| InChI key | OJVAMHKKJGICOG-UHFFFAOYSA |
| mp | −6-−5 °C (lit.) |
| refractive index | n |
| SMILES string | CC(=O)CCC(C)=O |
| solubility | alcohol: miscible |
| diethyl ether: miscible | |
| water: miscible | |
| vapor pressure | 0.43 mmHg ( 20 °C) |
| Application: | 2,5-Hexanedione was used as starting reagent in the synthesis of trans-2,5-dimethylpyrrolidine. |
| Application: | It was used as reference standard for the determination of 2,5HD in human urine using gas chromatography-electron capture detection and gas chromatography-mass selective detection. |
| General description: | 2,5-Hexanedione is a major metabolite of the neurotoxic industrial solvent methyl n-butyl ketone. It reacts with amines to yield 2,5-dimethylpyrroles. |
| Packaging: | 25, 100 g in glass bottle |
| Symbol |   GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H302 - H315 - H319 - H361f - H373 |
| Precautionary statements | P201 - P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338 - P308 + P313 |
| Hazard Codes | Xn |
| Risk Statements | 36/38-48/20/21/22 |
| Safety Statements | 23-26-36/37 |
| RIDADR | NONH for all modes of transport |
| Flash Point(F) | 174.2 °F - closed cup |
| Flash Point(C) | 79 °C - closed cup |
| Purity | ≥98% |
| bp | 191 °C (lit.) |
| mp | −6-−5 °C (lit.) |
| Density | 0.973 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |