Propionic acid - for synthesis , CAS No.79-09-4

CAS: 79-09-4 Cat. No.: P434195 Fórmula: C₃H₆O₂ Peso molecular: 74.08 Beilstein Registry Number: 506071 Número EC: 201-176-3

CALIDAD & PUREZA for Synthesis

Synonyms

EPA Pesticide Chemical Code 077702 | GTPL1062 | INS NO.280 | Tox21_304030 | LMFA01010003 | methylacetic acid | PROPIONIC-2,2-D2 ACID | Propionic acid, for synthesis, 99.5% | PROPIONIC ACID [FCC] | Propionic acid grain preserver | EINECS 201-176-3 | Lupris

Storage

Room temperature

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

EPA Pesticide Chemical Code 077702 | GTPL1062 | INS NO.280 | Tox21_304030 | LMFA01010003 | methylacetic acid | PROPIONIC-2,2-D2 ACID | Propionic acid, for synthesis, 99.5% | PROPIONIC ACID [FCC] | Propionic acid grain preserver | EINECS 201-176-3 | Lupris

Especificaciones y pureza

for synthesis

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

for Synthesis

Nombres e identificadores

Pubchem Sid

504750454

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750454

Sonrisas canónicas

CCC(=O)O

IUPAC Name

propanoic acid

InChIKey

XBDQKXXYIPTUBI-UHFFFAOYSA-N

INCHI

1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

Isómeros SMILES

CCC(=O)O

WGK Alemania

1

RTECS

UE5950000

CAS alternativo

79-09-4,68990-37-4,68937-68-8,557-28-8 (zinc salt)

Número ONU

3463

Grupo de embalaje

II

Términos de entrada MeSH

chromium propionate;ethylformic acid;lithium propanoate;Monoprop;potassium propionate;propionic acid;propionic acid, zinc salt;zinc propionate

Peso molecular

74.08

Beilstein

506071

Reaxy-Rn

506071

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Objetivos asociados (humanos)

FFAR2 Tchem Free fatty acid receptor 2 (0 Activities)

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

FFAR3 Tchem Free fatty acid receptor 3 (0 Activities)

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

K562 (73714 Activities)

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HCT-116 (91556 Activities)

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SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

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FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

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FFAR2 Tchem Free fatty acid receptor 2 (545 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLL Tbio DNA polymerase lambda (184 Activities)

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FIBCD1 Tbio Fibrinogen C domain-containing protein 1 (33 Activities)

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Objetivos asociados (no humanos)

HD1 Histone deacetylase (38 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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Slc22a20 Solute carrier family 22 member 20 (86 Activities)

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Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.386 (lit.)
• Punto de inflamación (°C): 58℃
• Punto de ebullición (°C): 141.1°C
• Punto de fusión (°C): −24-−23 °C (lit.)
• Peso molecular: 74.080 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 74.0368 Da
• Monoisotopic Mass: 74.0368 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 40.200
• 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

Preguntas frecuentes

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79-09-4, the molecular formula is C3H6O2, and the molecular weight is 74.08 g/mol. InChIKey XBDQKXXYIPTUBI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.