123-76-2
Product Name:
Levulinic acid
Formula:
C5H8O3
Synonyms:
4-Oxopentanoic acid;4-Oxopentanoic acid, 4-Oxovalerianic acid;4-Oxovaleric acid;Levulinic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Pellets or Large Crystals, Liquid |
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Boiling Point | 245.5 °C |
Melting Point | 33 °C |
Solubility | soluble in water, alcohol, and oil |
Density | 1.136-1.147 (20°) |
LogP | -0.49 |
Refractive Index | 1.439-1.445 |
Dissociation Constants | 4.64 (at 18 °C) |
Kovats Retention Index | 1065.8 |
Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. |
COMPUTED DESCRIPTORS
Molecular Weight | 116.11 g/mol |
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XLogP3 | -0.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 116.047344113 g/mol |
Monoisotopic Mass | 116.047344113 g/mol |
Topological Polar Surface Area | 54.4 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 106 |
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
4-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 4-position. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and an oxopentanoic acid. It is a conjugate acid of a 4-oxopentanoate.