Valeric acid - Moligand™, ≥99%(GC) , CAS No.109-52-4

CAS: 109-52-4 Cat. No.: V108272 Formula: C₅H₁₀O₂ Molecular Weight: 102.13 Beilstein Registry Number: 969454 EC Number: 203-677-2 PubChem CID: 7991

GRADE & PURITY Moligand™, ≥99%(GC)

Synonyms

n-Valeric acid | Pentanoic Acid

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyms

n-Valeric acid | Pentanoic Acid

Specifications & Purity

Moligand™, ≥99%(GC)

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Grade

Moligand™

Purity

≥99%(GC)

Names and Identifiers

Pubchem Sid

504751536

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751536

Canonical Smiles

CCCCC(=O)O

IUPAC Name

pentanoic acid

InChIKey

NQPDZGIKBAWPEJ-UHFFFAOYSA-N

INCHI

1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

Isomeric SMILES

CCCCC(=O)O

WGK Germany

1

RTECS

YV6100000

PubChem CID

7991

UN Number

3265

Packing Group

I

Molecular Weight

102.13

Beilstein

969454

Reaxy-Rn

969454

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• External Descriptors: Straight chain fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

FFAR2 Tchem Free fatty acid receptor 2 (0 Activities)

Discover Target: FFAR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FFAR3 Tchem Free fatty acid receptor 3 (0 Activities)

Discover Target: FFAR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (20 g/l at 20 °C).
• Sensitivity: Moisture & heat sensitive
• Refractive Index: 1.407-1.41
• Flash Point(°F): 204.8 °F
• Flash Point(°C): 96℃
• Boil Point(°C): 110-111°C/10 mmHg
• Melt Point(°C): -20--18°C
• Molecular Weight: 102.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1