3588-17-8
Product Name:
trans,trans-Muconic acid
Formula:
C6H6O4
Synonyms:
trans,trans-1,3-Butadiene-1,4-dicarboxylic acid;trans,trans-2,4-Hexadienedioic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White crystalline solid; [Chem Service MSDS] |
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Melting Point | 301 °C |
Solubility | 0.2 mg/mL at 15 °C |
Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 142.11 g/mol |
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XLogP3 | 0.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 142.02660867 g/mol |
Monoisotopic Mass | 142.02660867 g/mol |
Topological Polar Surface Area | 74.6 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 168 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Muconic acid is a hexadienedioic acid with unsaturation at positions 2 and 4. It has a role as a human xenobiotic metabolite. It is a dicarboxylic fatty acid and a hexadienedioic acid. It is a conjugate acid of a 5-carboxypenta-2,4-dienoate.