PRODUCTS

1,5-PENTANEDIOATE

1,5-Pentanedioate is a five-carbon dicarboxylate anion derived from glutaric acid with the molecular formula C₅H₈O₄, known for its solubility in water and organic solvents.
1,5-Pentanedioate plays a role in the catabolism of lysine and tryptophan in biological systems and is involved in biochemical pathways as a metabolic intermediate.
1,5-Pentanedioate is formed as an intermediate during the catabolism of lysine in mammals.

CAS Number: 110-94-1
EC Number: 203-817-2
Chemical Formula: C5H8O4
Molar Mass: 132.12 g/mol

Synonyms: GLUTARIC ACID, Pentanedioic acid, 110-94-1, 1,5-Pentanedioic acid, glutarate, 1,3-Propanedicarboxylic acid, Pentandioic acid, n-Pyrotartaric acid, propane-1,3-dicarboxylic acid, UNII-H849F7N00B, CHEBI:17859, MFCD00004410, Carboxylic acids, C6-18 and C5-15-di-, NSC9238, H849F7N00B, DSSTox_CID_1654, DSSTox_RID_76266, DSSTox_GSID_21654, CAS-110-94-1, HSDB 5542, NSC 9238, EINECS 203-817-2, BRN 1209725, Glutarsaeure, Pentandioate, AI3-24247, 1czc, 1,5-Pentanedioate, Glutaric acid, 99%, 4lh3, 1,3-Propanedicarboxylate, WLN: QV3VQ, (C4-C6) Dibasic acids, pentanedioate;Glutaric acid, bmse000406, Glutaric Acid and Anhydride, SCHEMBL7414, 4-02-00-01934, Pentanedioic acid Glutaric acid, Carboxylic acids, di-, C4-6, CHEMBL1162495, DTXSID2021654, ZINC388706, NSC-9238, Tox21_202448, Tox21_302871, BDBM50485550, s3152, AKOS000118800, CS-W009536, DB03553, HY-W008820, LS41863, MCULE-4286022994, NCGC00249226-01, NCGC00256456-01, NCGC00259997-01, 68937-69-9, AS-13132, BP-21143, H402, SY029948, FT-0605446, G0069, G0245, C00489, D70283, A802271, Q409622, Glutaric Acid (ca. 50% in Water, ca. 4.3mol/L), J-011915, Q-201163, Z57127454, 78FA13BF-E0C0-4EFC-948C-534CF45044E3, F2191-0242, Glutaric acid, certified reference material, TraceCERT(R), Glutaric acid, 1,3-Propanedicarboxylate, 1,5-Pentanedioate, 1,5-Pentanedioic acid, 110-94-1, 1209725, 203-817-2, Acide glutarique, Glutarsäure, hydrogen glutarate, MFCD00004410, n-Pyrotartaric acid, Pentanedioic acid, 1,3-PROPANEDICARBOXYLIC ACID, 111-16-0, 154184-99-3, 19136-99-3, 203-817-2MFCD00004410, 271-678-5, 273-081-5, 4-02-00-01934, 43087-19-0, 68603-87-2, 68937-69-9, 8065-59-6 , Glutaric acid (Pentanedioic acid), glutaric acid, reagent, Gua, hydron, Pentandioate, Pentandioic acid, pentanedioate, Pentanedioic-2,2,4,4-d4 Acid, Pentanedioic-3,3-d2 Acid, Pentanedioic-d6 Acid, Propane-1,3-dicarboxylic acid, Propane-1,3-dicarboxylic acid|Pentanedioic acid,Glutaric acid, WLN: QV3VQ

1,5-Pentanedioate is a chemical compound with the molecular formula C₅H₈O₄.
1,5-Pentanedioate is the conjugate base of glutaric acid, which is a five-carbon dicarboxylic acid.

1,5-Pentanedioate is a five-carbon dicarboxylate anion derived from glutaric acid.
1,5-Pentanedioate has the molecular formula C₅H₈O₄ and is known for its solubility in water and organic solvents.

In its acid form, 1,5-Pentanedioate is a colorless crystalline solid with a melting point of 97-99 °C.
1,5-pentanedioate serves as an important intermediate in the synthesis of various chemicals, including polymers and plasticizers, and is involved in biochemical pathways as a metabolic intermediate.

1,5-Pentanedioate plays a role in the catabolism of lysine and tryptophan in biological systems.
1,5-Pentanedioate is stable under normal conditions but reacts with strong bases and acids.
Proper handling and storage are essential to avoid irritation and ensure safety, as the compound can cause skin, eye, and respiratory tract irritation.

1,5-pentanedioate is a linear dicarboxylic acid.
1,5-pentanedioate has been prepared by oxidizing cyclopentane, cyclopentanol and cyclopentanone.

1,5-pentanedioate is a pentanedioic acid.
On exposure to X-rays, 1,5-pentanedioate crystals generate two stable free radicals.

These free radicals have been investigated by electron nuclear double resonance (ENDOR) technique.
Presence of 1,5-pentanedioate in urine and plasma is an indicator of type I 1,5-pentanedioateuria (GA-I).

1,5-pentanedioate is formed as an intermediate during the catabolism of lysine in mammals.
Electron spin resonance spectra of radical (CO2H)CH2CH2CH(CO2H formed in 1,5-pentanedioate crystal after γ-irradiation is reported to remains trapped in 1,5-pentanedioate.
Polymorphism of Glycine-1,5-pentanedioate co-crystals has been studied by single crystal X-ray diffraction and Raman spectroscopy.

1,5-pentanedioate is a simple five-carbon linear dicarboxylic acid.
1,5-pentanedioate is naturally produced in the body during the metabolism of some amino acids, including lysine and tryptophan.

1,5-pentanedioate may cause irritation to the skin and eyes.
When present in sufficiently high levels, 1,5-pentanedioate can act as an acidogen and a metabotoxin.

An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems.
A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels.

Chronically high levels of 1,5-pentanedioate are associated with at least three inborn errors of metabolism, including 1,5-pentanedioateuria type I, malonyl-CoA decarboxylase deficiency, and 1,5-pentanedioateuria type III.
1,5-pentanedioateuria type I (1,5-pentanedioateemia type I, glutaryl-CoA dehydrogenase deficiency, GA1, or GAT1) is an inherited disorder in which the body is unable to completely break down the amino acids lysine, hydroxylysine, and tryptophan due to a deficiency of mitochondrial glutaryl-CoA dehydrogenase (EC 1.3.99.7, GCDH).

Excessive levels of their intermediate breakdown products (e.g. 1,5-pentanedioate, glutaryl-CoA, 3-hydroxy1,5-pentanedioate, glutaconic acid) can accumulate and cause damage to the brain (and also other organs).
Babies with 1,5-pentanedioateemia type I are often born with unusually large heads (macrocephaly).

Macrocephaly is amongst the earliest signs of GA1.
GA1 also causes secondary carnitine deficiency because 1,5-pentanedioate, like other organic acids, is detoxified by carnitine.

Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis.
Acidosis typically occurs when arterial pH falls below 7.35.

In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy).
These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death.

These are also the characteristic symptoms of untreated 1,5-pentanedioateuria.
Many affected children with organic acidemias experience intellectual disability or delayed development.

In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures.
Treatment of 1,5-pentanedioateuria is mainly based on the restriction of lysine intake, supplementation of carnitine, and an intensification of therapy during intercurrent illnesses.

The major principle of dietary treatment is to reduce the production of 1,5-pentanedioate and 3-hydroxy1,5-pentanedioate by restriction of natural protein, in general, and of lysine, in particular.
1,5-pentanedioate has also been found in Escherichia

1,5-pentanedioate is an alpha,omega-dicarboxylic acid which has simple 5 carbon linear dicarboxylic acid (HO2C−R−CO2H).
The molecular or chemical formula of 1,5-pentanedioate is C5H8O4.

When pentanedioic acid is present in a high amount 1,5-pentanedioate acts as a metabotoxin and as an acidogen.
1,5-pentanedioate can be synthesized by the following process

The ring-opening of butyrolactone (C4H6O2) with potassium cyanide (KCN) to produce potassium carboxylate-nitrile.
1,5-pentanedioate is hydrolyzed further to diacid.

Oxidizing dihydropyran will produce 1,5-pentanedioate.
1,5-pentanedioate can also be synthesized by treating 1,3-dibromopropane with potassium or sodium cyanide to produce dinitrile.
Further, 1,5-pentanedioate is hydrolysed to obtain 1,5-pentanedioate.

1,5-pentanedioate is used as the raw material for organic synthesis, pharmaceutical intermediate and synthetic resin.
1,5-pentanedioate serves as a precursor in the production of polyester polyols, polyamides, ester plasticizers and corrosion inhibitors.

1,5-pentanedioate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives.
These are organic compounds containing exactly two carboxylic acid groups.

1,5-pentanedioate exists in all living organisms, ranging from bacteria to humans.
1,5-pentanedioate is an odorless tasting compound.

1,5-pentanedioate has been detected, but not quantified in, several different foods, such as eddoes (Colocasia antiquorum), pitangas (Eugenia uniflora), narrowleaf cattails (Typha angustifolia), chicory leaves (Cichorium intybus var. foliosum), and wax apples (Eugenia javanica).
This could make 1,5-pentanedioate a potential biomarker for the consumption of these foods.
1,5-pentanedioate, with regard to humans, has been found to be associated with several diseases such as eosinophilic esophagitis and irritable bowel syndrome; 1,5-pentanedioate has also been linked to several inborn metabolic disorders including 1,5-pentanedioateuria I, 3-hydroxy-3-methylglutaryl-coa lyase deficiency, and short chain acyl-coa dehydrogenase deficiency.

1,5-pentanedioate is a dinucleotide phosphate that exists in two forms: the alpha form, which has a high phase transition temperature and is insoluble in water; and the beta form, which has a low phase transition temperature and is soluble in water.
1,5-pentanedioate can be used as an analytical reagent to identify the type of nucleotides present in samples.

1,5-pentanedioate can also be used as an experimental solvent for other compounds that are not soluble in water.
The toxicity of 1,5-pentanedioate has been studied extensively and found to be low.

This compound does not appear to have any adverse effects on human health or animals at doses up to 1g/kg body weight.
1,5-pentanedioate has been shown to have anti-infectious properties by inhibiting the growth of bacteria, fungi, and viruses.
The effectiveness of 1,5-pentanedioate against infectious diseases appears to depend on 1,5-pentanedioate ability to block protein synthesis by inhibiting enzymes such as glutathione reductase

1,5-pentanedioate is the organic compound with the formula C3H6(COOH).
Although the related "linear" dicarboxylic acids adipic and succinic acids are water-soluble only to a few percent at room temperature, the water-solubility of 1,5-pentanedioate is over 50% (w/w).

Applications of 1,5-pentanedioate:
1,5-pentanedioate is used as the raw material for organic synthesis, pharmaceutical intermediate and synthetic resin.
1,5-pentanedioate serves as a precursor in the production of polyester polyols, polyamides, ester plasticizers and corrosion inhibitors.

1,5-pentanedioate is useful to decrease polymer elasticity and in the synthesis surfactants and metal finishing compounds.
1,5-pentanedioate acts as an intermediate during the catabolism of lysine in mammals.
1,5-pentanedioate may be employed as starting reagent in the synthesis of glutaric anhydride.

Chemical and Polymer Industry:

Polymer Production:
1,5-pentanedioate is used as a monomer or intermediate in the production of polymers and resins.
1,5-Pentanedioate contributes to the development of high-performance materials with enhanced mechanical properties, such as improved flexibility and durability.

Plasticizers:
1,5-Pentanedioate serves as a plasticizer in various polymers, enhancing their flexibility and processing characteristics.
This application is particularly valuable in the production of flexible plastic materials used in packaging, automotive components, and medical devices.

Chemical Reagents:
1,5-pentanedioate is employed as a reagent in chemical synthesis.
1,5-Pentanedioate is used to prepare esters, amides, and other derivatives, making it a versatile component in organic chemistry.

Biochemical and Pharmaceutical Applications:

Metabolic Research:
As a metabolic intermediate, 1,5-pentanedioate plays a role in the catabolism of amino acids like lysine and tryptophan.
1,5-Pentanedioate is used in biochemical research to study metabolic pathways and enzyme functions.

Drug Synthesis:
1,5-pentanedioate is used as a building block in the synthesis of pharmaceutical compounds.
1,5-Pentanedioate helps in the creation of drugs and intermediates, contributing to the development of new medications.

Pharmaceutical Formulations:
1,5-Pentanedioate is employed as a stabilizer in pharmaceutical formulations, helping to maintain the stability and shelf-life of drugs.

Environmental and Analytical Applications:

Analytical Chemistry:
1,5-pentanedioate is used in analytical chemistry as a standard or reagent in various assays and tests.
1,5-Pentanedioate can aid in the analysis of other compounds and the calibration of analytical instruments.

Environmental Research:
1,5-Pentanedioate's role in metabolic pathways makes it relevant in environmental studies, particularly in understanding how substances are processed in biological systems and assessing their impact on ecosystems.

Food and Beverage Industry:

Flavoring Agents:
1,5-pentanedioate derivatives can be used in the food industry as flavoring agents or additives.
They contribute to the taste and aroma profiles of certain food products.

Medical and Health Applications:

Stabilization of Enzymes:
In some cases, 1,5-pentanedioate is used to stabilize enzymes during biochemical processes.
By denaturing and then refolding proteins, 1,5-Pentanedioate helps maintain enzyme activity under specific conditions.

Industrial and Specialty Chemicals:

Coordination Chemistry:
1,5-pentanedioate can form complexes with metal ions, which are used in various catalytic and coordination chemistry applications.
These complexes are valuable in industrial processes and chemical synthesis.

Uses of 1,5-pentanedioate:
1,5-Pentanediol that is a common plasticizer and a precursor to polyesters by hydrogenation of glutamic acid and 1,5-pentanedioate derivatives.
In addition, we use 1,5-pentanedioate itself in the production of polymers such as polyamides, and polyols.

Also, the odd number of the carbon atom that is 5 is very useful in decreasing the polymer elasticity.
Moreover, we get uvitonic acid by the action of ammonia on 1,5-pentanedioate.

Hydrogenation of 1,5-pentanedioate and 1,5-pentanedioate derivatives produces a placticizers.
1,5-pentanedioate is used to produce many polymers such as polyesters, polyamides.

1,5-Pentanediol, a common plasticizer and precursor to polyesters is manufactured by hydrogenation of 1,5-pentanedioate and 1,5-pentanedioate derivatives.
1,5-pentanedioate itself has been used in the production of polymers such as polyester polyols, polyamides.

The odd number of carbon atoms (i.e. 5) is useful in decreasing polymer elasticity.
Uvitonic acid is obtained by the action of ammonia on 1,5-pentanedioate.
Pyrogallol can be produced from glutaric diester.

Industry Uses:
Adsorbents and absorbents
Corrosion inhibitors and anti-scaling agents
Intermediates
Plasticizers
Processing aids, not otherwise listed

Consumer Uses:
Adhesives and sealants
Water treatment products

Other Uses:
Buffering
Flavouring
Processing aid not otherwise specified
Processing aids and additives

Benefits of 1,5-pentanedioate:
1,5-Pentanedioate offers significant benefits across various sectors due to its versatile chemical properties.
In the chemical industry, 1,5-Pentanedioate is a valuable intermediate used in the production of polymers and resins.

These polymers are essential for creating durable and high-performance materials utilized in everything from automotive parts to household goods.
By enhancing the properties of these materials, 1,5-pentanedioate contributes to the development of products that are both more flexible and resilient.

In addition to its role in polymer production, 1,5-pentanedioate is used as a plasticizer.
Plasticizers are substances added to plastics to increase their flexibility and workability.

1,5-pentanedioate-based plasticizers improve the performance of plastic materials, making them suitable for a wide range of applications, including in packaging, automotive components, and medical devices.

1,5-pentanedioate also serves as a reagent in various chemical reactions, facilitating the synthesis of other important compounds.
This capability makes 1,5-Pentanedioate a key player in the production of specialty chemicals and pharmaceuticals.
1,5-Pentanedioate's role in chemical synthesis helps streamline the manufacturing of complex molecules, contributing to advancements in various industries.

Biochemically, 1,5-pentanedioate plays a critical role as an intermediate in metabolic pathways.
1,5-Pentanedioate is involved in the catabolism of lysine and tryptophan, two essential amino acids.
By participating in these metabolic processes, 1,5-pentanedioate supports the proper functioning of biological systems and helps maintain metabolic balance.

In the pharmaceutical industry, 1,5-pentanedioate is used as a building block in the synthesis of drugs and as a stabilizer in pharmaceutical formulations.
1,5-Pentanedioate's presence in drug formulations can help enhance the stability and shelf-life of medications, ensuring that they remain effective throughout their intended use period.

Overall, 1,5-pentanedioate's benefits span across material science, chemical synthesis, biochemical research, and pharmaceuticals.
1,5-Pentanedioate's ability to improve material properties, facilitate chemical reactions, support metabolic processes, and stabilize pharmaceutical products underscores its value in a wide range of applications.

Formula and Structure of 1,5-pentanedioate:
The chemical formula of 1,5-pentanedioate is C3H6(COOH)2.
1,5-pentanedioate is an alpha, omega-dicarboxylic acid that has linear five-carbon dicarboxylic acid.

In addition, 1,5-pentanedioate plays a role as a human metabolite and Daphnia Magna metabolite.
Furthermore, 1,5-pentanedioate is the conjugate acid of glutarate(1-) and glutamate.
1,5-pentanedioate molecular weight is 132.12 g/mol.

Biochemistry of 1,5-pentanedioate:
1,5-pentanedioate is naturally produced in the body during the metabolism of some amino acids, including lysine and tryptophan.
Defects in this metabolic pathway can lead to a disorder called 1,5-pentanedioateuria, where toxic byproducts build up and can cause severe encephalopathy.

Naturally, the body produces 1,5-pentanedioate during the metabolism of some amino acids that include tryptophan and lysine.
In addition, defects in this metabolic pathway can lead to a disorder called 1,5-pentanedioateuria, where toxic byproducts build up and can cause severe encephalopathy.

Production of 1,5-pentanedioate:

The production of 1,5-pentanedioate typically involves the following methods:

Chemical Synthesis:

Oxidation:
1,5-Pentanediol is oxidized to 1,5-Pentanedioate using oxidizing agents like potassium permanganate (KMnO₄) or nitric acid (HNO₃).
The reaction involves the conversion of the primary alcohol groups in 1,5-pentanediol to carboxyl groups, resulting in the formation of 1,5-Pentanedioate.
The reaction conditions are carefully controlled to avoid over-oxidation.

Cyclization of 1,5-Dibromopentane:
1,5-Dibromopentane undergoes cyclization in the presence of a base to form 1,5-Pentanedioate.
This method involves the treatment of 1,5-dibromopentane with a strong base, such as sodium hydroxide (NaOH), leading to the formation of 1,5-Pentanedioate through a cyclization reaction.

Hydrolysis of Glutaric Anhydride:
Glutaric anhydride is hydrolyzed to produce 1,5-Pentanedioate, which then forms the 1,5-pentanedioate salt.
Glutaric anhydride is treated with water in the presence of a catalyst or under controlled conditions to yield 1,5-Pentanedioate, which is then converted to its salt form by neutralizing with a base.

Biotechnological Methods:

Fermentation:
Certain microorganisms, such as bacteria or fungi, can produce 1,5-Pentanedioate through fermentation processes.
These microorganisms are cultured in a controlled environment with substrates that they convert into 1,5-Pentanedioate.
This method is considered more environmentally friendly and sustainable compared to chemical synthesis.

Enzymatic Synthesis:
Enzymes can be used to catalyze the conversion of precursors to 1,5-Pentanedioate.
This method often involves the use of specific enzymes that facilitate the formation of 1,5-Pentanedioate from simpler molecules.
Enzymatic synthesis can offer high selectivity and milder reaction conditions, potentially leading to fewer by-products.

Industrial Production:
In industrial settings, 1,5-pentanedioate is produced on a large scale using the aforementioned chemical synthesis methods, with optimization for efficiency and cost-effectiveness.
The production process is monitored for purity, yield, and consistency to meet industry standards and specifications.

Environmental Considerations:

Waste Management:
The production process includes measures to manage and mitigate waste, ensuring that by-products and residual chemicals are handled responsibly.

Sustainability:
Advances in production techniques aim to reduce the environmental impact, with a focus on developing more sustainable and eco-friendly methods.

General Manufacturing Information of 1,5-pentanedioate:

Industry Processing Sectors:
All other basic organic chemical manufacturing
Plastic material and resin manufacturing
Utilities

Handling and Storage of 1,5-pentanedioate:

Handling:
Use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats when handling 1,5-pentanedioate to avoid contact with skin, eyes, and inhalation.
Handle in a well-ventilated area or under a fume hood to minimize exposure to vapors or dust.

Avoid ingestion and avoid direct contact with the substance.
Ensure that equipment and surfaces are clean and free from residues.

Storage:
Store in a cool, dry place away from direct sunlight and moisture.
Keep containers tightly closed when not in use.

Store in a well-ventilated area to prevent the accumulation of vapors.
Ensure compatibility with other stored materials to prevent unwanted reactions.

Stability and Reactivity of 1,5-pentanedioate:

Stability:
1,5-pentanedioate is generally stable under normal storage conditions.
Avoid exposure to extreme temperatures, strong acids, or bases to maintain stability.

Reactivity:
Reacts with strong oxidizing agents, which can lead to potential hazards.
Avoid contact with strong acids and bases, as they may cause degradation or unwanted reactions.
Can form complexes with metal ions, which may affect reactivity and stability.

First Aid Measures of 1,5-pentanedioate:

Inhalation:
Move the person to fresh air immediately.
Seek medical attention if symptoms such as coughing, difficulty breathing, or throat irritation persist.

Skin Contact:
Wash the affected area thoroughly with soap and water.
Remove contaminated clothing and shoes.
Seek medical attention if irritation or redness persists.

Eye Contact:
Rinse eyes immediately with plenty of water for at least 15 minutes.
Seek medical attention if irritation persists or if vision problems occur.

Ingestion:
Rinse mouth with water.
Do not induce vomiting unless instructed by a medical professional.
Seek medical attention immediately.

Fire-Fighting Measures of 1,5-pentanedioate:

Extinguishing Media:
Use dry chemical powder, foam, or carbon dioxide (CO₂) to extinguish fires.
Water may be used cautiously, but ensure 1,5-Pentanedioate is compatible with the fire situation.

Fire Fighting Instructions:
Wear self-contained breathing apparatus (SCBA) and protective clothing.
Cool containers exposed to fire with water to prevent rupture or explosion.
Avoid inhaling smoke or fumes; ensure adequate ventilation during and after the fire.

Accidental Release Measures of 1,5-pentanedioate:

Personal Precautions:
Evacuate the area if necessary and ensure that appropriate PPE is worn.
Avoid direct contact with spilled material and minimize dust generation.

Spill Containment:
Contain the spill using inert materials such as sand or vermiculite.
Collect the material using appropriate tools and place 1,5-Pentanedioate into a suitable waste disposal container.

Cleanup:
Clean the affected area with water and detergent.
Dispose of waste according to local regulations and guidelines.

Exposure Controls/Personal Protective Measures of 1,5-pentanedioate:

Exposure Limits:
Follow occupational exposure limits and guidelines provided by regulatory agencies.

Engineering Controls:
Ensure proper ventilation in work areas where 1,5-pentanedioate is handled or used.
Use fume hoods or local exhaust systems to control airborne concentrations.

Personal Protective Equipment (PPE):

Respiratory Protection:
Use appropriate respiratory protection if ventilation is insufficient or if there is a risk of inhalation.

Hand Protection:
Wear gloves that are resistant to chemicals.

Eye Protection:
Use safety goggles or face shields to protect against splashes and vapors.

Body Protection:
Wear protective clothing to prevent skin contact.

Identifiers of 1,5-pentanedioate:
CAS Number: 110-94-1
ChEBI: CHEBI:17859
ChEMBL: ChEMBL1162495
ChemSpider: 723
DrugBank: DB03553
ECHA InfoCard: 100.003.471
EC Number: 203-817-2
KEGG: C00489
PubChem CID: 743
UNII: H849F7N00B
CompTox Dashboard (EPA): DTXSID2021654
InChI:
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) check
Key: JFCQEDHGNNZCLN-UHFFFAOYSA-N check
InChI=1/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
Key: JFCQEDHGNNZCLN-UHFFFAOYAU
SMILES: C(CC(=O)O)CC(=O)O

IUPAC Name: Pentanedioate
Common Name: Glutarate
CAS Number: 1119-40-0 (for the free acid form, glutaric acid)
Molecular Formula: C₅H₈O₄
Molar Mass: 132.11 g/mol

Properties of 1,5-pentanedioate:
Chemical formula: C5H8O4
Molar mass: 132.12 g/mol
Melting point: 95 to 98 °C (203 to 208 °F; 368 to 371 K)
Boiling point: 200 °C (392 °F; 473 K) /20 mmHg

Molecular Weight: 132.11
XLogP3: -0.3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 4
Exact Mass: 132.04225873
Monoisotopic Mass: 132.04225873
Topological Polar Surface Area: 74.6 Å²
Heavy Atom Count: 9
Complexity: 104
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

Boiling point: 302 - 304 °C (1013 hPa) (slow decomposition)
Density: 1.429 g/cm3 (15 °C)
Melting Point: 97.5 - 98 °C
Vapor pressure: 0.022 hPa (18.5 °C)
Solubility: 640 g/l

Specifications of 1,5-pentanedioate:
Assay (acidimetric): ≥ 99,0 %(m)
Melting range (lower value): ≥ 95 °C
Melting range (upper value): ≤ 99 °C
Identity (IR): conforms

Names of 1,5-pentanedioate:

Preferred IUPAC name:
Pentanedioic acid

Other names:
Glutaric acid
Propane-1,3-dicarboxylic acid
1,3-Propanedicarboxylic acid
Pentanedioic acid
n-Pyrotartaric acid