Acetate - UltraPureChrom™, for LC-MS , CAS No.64-19-7

CAS: 64-19-7 Cat. No.: A116168 Fórmula: CH₃CO₂H Peso molecular: 60.05 Beilstein Registry Number: 506007 Número EC: 200-580-7

GRADE & PURITY UltraPureChrom™, for LC-MS

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

Specifications

Sinónimos

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

Especificaciones y pureza

UltraPureChrom™, for LC-MS

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

FedEx DG Service

Grado

for LC-MS, UltraPureChrom™

Nombres e identificadores

Pubchem Sid

488179495

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179495

Sonrisas canónicas

CC(=O)O

IUPAC Name

acetic acid

InChIKey

QTBSBXVTEAMEQO-UHFFFAOYSA-N

INCHI

1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

Isómeros SMILES

CC(=O)O

WGK Alemania

1

RTECS

AF1225000

Número ONU

2789

Grupo de embalaje

II

Peso molecular

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
    • 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)

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

Objetivos asociados (no humanos)

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

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Índice de refracción: 1.37-1.373
• Punto de inflamación (°C): 40℃
• Punto de ebullición (°C): 117-118°C
• Punto de fusión (°C): 16-16.5°C
• Peso molecular: 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

Preguntas frecuentes

What is UltraPureChrom??

UltraPureChrom? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, UltraPureChrom? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What does for LC-MS mean?

for LC-MS indicates that the chemical has been purified and tested specifically for use in liquid chromatography–mass spectrometry. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. for LC-MS is used for mobile phases, sample preparation and analytical standards in this workflow.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 64-19-7, the molecular formula is C2H4O2, and the molecular weight is 60.05 g/mol. InChIKey QTBSBXVTEAMEQO-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.