Acetate - Premium-Grade Reagents, ≥99.5% , CAS No.64-19-7

CAS: 64-19-7 Cat. No.: A116166 Formula: CH₃CO₂H Molecular Weight: 60.05 Beilstein Registry Number: 506007 EC Number: 200-580-7

GRADE & PURITY Premium-Grade Reagents, ≥99.5%

Synonyms

Acetasol | Methanecarboxylic acid | Acido acetico | Essigsaeure | Aceticum acidum | Pyroligneous acid | Vinegar acid | Acetic acid glacial | Ethylic acid | Acide acetique | Glacial acetic acid | acetic acid | Vinegar | ethanoic acid | Acetic acid, glacial

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyms

Acetasol | Methanecarboxylic acid | Acido acetico | Essigsaeure | Aceticum acidum | Pyroligneous acid | Vinegar acid | Acetic acid glacial | Ethylic acid | Acide acetique | Glacial acetic acid | acetic acid | Vinegar | ethanoic acid | Acetic acid, glacial

Specifications & Purity

Premium-Grade Reagents, ≥99.5%

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Grade

Premium-Grade Reagents

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

508812506

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812506

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)

Discover Target: LCK

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

FYN Tclin Tyrosine-protein kinase FYN (5308 Activities)

Discover Target: FYN

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

HCT-116 (91556 Activities)

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

SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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

FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

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

FFAR2 Tchem Free fatty acid receptor 2 (545 Activities)

Discover Target: FFAR2

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

POLL Tbio DNA polymerase lambda (184 Activities)

Discover Target: POLL

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

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

Discover Target: SLCO2B1

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

Associated Targets(non-human)

Caenorhabditis elegans (1055 Activities)

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

Meloidogyne incognita (862 Activities)

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

Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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

Radish (446 Activities)

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

Lolium rigidum (323 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible; Miscible with Benzene,Acetone,Alcohol,Ether
• 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