Isobutyl Acrylate - ≥99%, contains 10-50ppm 4-methoxyphenol as stabilizer , CAS No.106-63-8

CAS: 106-63-8 Cat. No.: I111441 Summenformel: C₇H₁₂O₂ Molekulargewicht: 128.17 Beilstein Registry Number: 1749390 EG-Nummer: 203-417-8

QUALITÄT & REINHEIT ≥99%, contains 10-50ppm 4-methoxyphenol as stabilizer

Synonyms

2-Propenoic acid, 2-methylpropyl ester | DTXSID1021873 | Isobutyl 2-propenoate | Isobutyl Acrylate, (stabilized with MEHQ) | WLN: 1Y1 & 1OV1U1 | 2-Propenoic acid isobutyl ester | Acrylic Acid Isobutyl Ester | NSC20949 | NSC-20949 | CAS-106-63-8 | J-001617

Storage

Room temperature

Shipped In

FedEx DG Service

Spezifikationen

Synonyme

2-Propenoic acid, 2-methylpropyl ester | DTXSID1021873 | Isobutyl 2-propenoate | Isobutyl Acrylate, (stabilized with MEHQ) | WLN: 1Y1 & 1OV1U1 | 2-Propenoic acid isobutyl ester | Acrylic Acid Isobutyl Ester | NSC20949 | NSC-20949 | CAS-106-63-8 | J-001617

Spezifikationen & Reinheit

≥99%, contains 10-50ppm 4-methoxyphenol as stabilizer

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504751471

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751471

Kanonisches Lächeln

CC(C)COC(=O)C=C

IUPAC Name

2-methylpropyl prop-2-enoate

InChIKey

CFVWNXQPGQOHRJ-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3

Isomere SMILES

CC(C)COC(=O)C=C

WGK Deutschland

2

RTECS

AT2100000

UN-Nummer

2527

Verpackungsgruppe

III

Molekulargewicht

128.17

Beilstein

1749390

Reaxy-Rn

1749388

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acid esters
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
• External Descriptors: Not available

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

Zugehörige Ziele (menschlich)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water.
• Brechungsindex: 1.41
• Flammpunkt (°F): 89.6 °F
• Flammpunkt (°C): 31 °C
• Siedepunkt (°C): 132°C
• Molekulargewicht: 128.169 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 106-63-8, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey CFVWNXQPGQOHRJ-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.