2,5-Hexanedione
SIAL/15972 - analytical standard
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
application(s) | environmental |
assay | ≥99.5% (GC) |
bp | 191 °C (lit.) |
density | 0.973 g/mL at 25 °C (lit.) |
format | neat |
grade | analytical standard |
InChI | 1S/C6H10O2/c1-5(7)3-4-6(2 |
InChI key | OJVAMHKKJGICOG-UHFFFAOYSA |
mp | −6-−5 °C (lit.) |
Quality Level | 100 ![]() |
refractive index | n |
n |
|
shelf life | limited shelf life, expiry date on the label |
SMILES string | CC(=O)CCC(C)=O |
technique(s) | gas chromatography (GC): suitable |
HPLC: suitable | |
vapor pressure | 0.43 mmHg ( 20 °C) |
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. |
Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
General description: | 2,5-Hexanedione (2,5HD) is a major metabolite of methyl n-butyl ketone. It is neurotoxic in nature and is water soluble. |
Symbol | ![]() ![]() |
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 |
Flash Point(F) | 174.2 °F - closed cup |
Flash Point(C) | 79 °C - closed cup |
Purity | ≥99.5% (GC) |
bp | 191 °C (lit.) |
mp | −6-−5 °C (lit.) |
Density | 0.973 g/mL at 25 °C (lit.) |
Refractive Index | n |
UNSPSC | 41116107 |