110-13-4
Product Name:
2,5-Hexanedione
Formula:
C6H10O2
Synonyms:
2,5-Hexanedione;Acetonylacetone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2,5-hexanedione is a clear colorless to amber liquid with a sweet aromatic odor. (NTP, 1992) |
|---|---|
| Boiling Point | 376 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 22.1 °F (NTP, 1992) |
| Flash Point | 174 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Density | 0.9737 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Density | 3.94 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 0.43 mmHg at 68 °F ; 1.6 mmHg at 77 °F (NTP, 1992) |
| Autoignition Temperature | 920 °F (NTP, 1992) |
| Kovats Retention Index | 906 894 924.2 888 890 890 894 890.1 894 |
| Chemical Classes | Solvents -> Ketones (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.14 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.068079557 g/mol |
| Monoisotopic Mass | 114.068079557 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 91.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2,5-hexanedione is a clear colorless to amber liquid with a sweet aromatic odor. (NTP, 1992)