Propionic acid - AR, ≥99.5%(GC) , CAS No.79-09-4

CAS: 79-09-4 Cat. No.: P110444 분자식: C₃H₆O₂ 분자량: 74.08 Beilstein Registry Number: 506071 EC 번호: 201-176-3

등급 & 순도 AR, ≥99.5%(GC)

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

개요

There is a slightly pungent odor. Can be miscible with water and soluble in ethanol, chloroform, and ether. Flammable. Low toxicity, median lethal dose (rat, oral) 4.29g/kg. Corrosive. Explosion limit 2.1% -12%. Determination of aromatic diamines, gas chromatography analysis standard. Insect cell culture grade is used to inhibit the growth of fungi in insect cell culture.

사양

동의어

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

사양 및 순도

AR, ≥99.5%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

등급

AR

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508811724

정식 스마일

CCC(=O)O

IUPAC Name

propanoic acid

InChIKey

XBDQKXXYIPTUBI-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CCC(=O)O

WGK 독일

1

RTECS

UE5950000

대체 CAS

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

UN 번호

3463

포장 그룹

II

MeSH 용어

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

분자량

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
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

관련 대상(인간)

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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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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관련 대상(비인간)

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)

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 굴절률: n20/D 1.386 (lit.)
• 발화점(°C): 58℃
• 끓는점(°C): 141.1°C
• 녹는점(°C): −24-−23 °C (lit.)
• 분자량: 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