Acetate - UltraPureChrom™, for HPLC, ≥99.9% , CAS No.64-19-7

CAS: 64-19-7 Cat. No.: A116174 Formula: CH₃CO₂H Molecular Weight: 60.05 Beilstein Registry Number: 506007 EC Number: 200-580-7

GRADE & PURITY UltraPureChrom™, for HPLC, ≥99.9%

Synonyms

Acetasol | Ethanoat | FEMA Number 2006 | HSDB 40 | Octowy kwas | Orthoacetic acid | Acetasol (TN) | Methanecarboxylic acid | 10.Methanecarboxylic acid | Acetic acid, ACS reagent, >=99.7% | Acido acetico [Italian] | HOOCCH3 | Acetic | Acido acetico | AI3-0

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Acetic acid is used in biochemical and molecular biological as a buffer when combined with sodium acetate in a specific buffering range fo pH 3.6 - 5.6. Acetic acid also is used in organic synthesis for the production of different acetates and acetyl compounds and as a precursor of polyvinylacetate and cellulose acetate.
Widely used in research and industrial uses.

Specifications

Synonyms

Acetasol | Ethanoat | FEMA Number 2006 | HSDB 40 | Octowy kwas | Orthoacetic acid | Acetasol (TN) | Methanecarboxylic acid | 10.Methanecarboxylic acid | Acetic acid, ACS reagent, >=99.7% | Acido acetico [Italian] | HOOCCH3 | Acetic | Acido acetico | AI3-0

Specifications & Purity

UltraPureChrom™, for HPLC, ≥99.9%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

for HPLC, UltraPureChrom™

Purity

≥99.9%

Names and Identifiers

• Pubchem Sid: 508812507
• Canonical Smiles: CC(=O)O
• IUPAC Name: acetic acid
• InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
• INCHI: 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
• Isomeric SMILES: CC(=O)O
• WGK Germany: 1
• RTECS: AF1225000
• UN Number: 2789
• Packing Group: II
• Molecular Weight: 60.05
• Beilstein: 506007
• Reaxy-Rn: 506007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506007&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

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)

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

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

FYN Tclin Tyrosine-protein kinase FYN (5308 Activities)

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HCT-116 (91556 Activities)

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SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

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FFAR2 Tchem Free fatty acid receptor 2 (545 Activities)

Discover Target: FFAR2

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLL Tbio DNA polymerase lambda (184 Activities)

Discover Target: POLL

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SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

Discover Target: SLCO2B1

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Associated Targets(non-human)

Caenorhabditis elegans (1055 Activities)

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Meloidogyne incognita (862 Activities)

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Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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Radish (446 Activities)

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Lolium rigidum (323 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, ethanol, ether, glycerol, most organic solvents, and carbon tetrachloride. Insoluble in carbon disulfide.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.37-1.373
• Flash Point(°C): 40℃
• Boil Point(°C): 117-118°C
• Melt Point(°C): 16-16.5°C
• Molecular Weight: 60.050 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 60.0211 Da
• Monoisotopic Mass: 60.0211 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.000
• 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