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) |
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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 |
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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 |
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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)