Iso-propylacrylate - ≥95% , CAS No.689-12-3

CAS: 689-12-3 Cat. No.: I589892 Summenformel: C₆H₁₀O₂ Molekulargewicht: 114.14 EG-Nummer: 211-710-7

GRADE & PURITY ≥95%

Synonyms

E83845 | EINECS 211-710-7 | 5TMJ62Z1LW | AKOS013152960 | NSC 32619 | Isopropyl 2-propenoate | Isopropyl ester of 2-propenoic acid | Acrylic acid, isopropyl ester | FT-0632811 | iso-Propylacrylate | EN300-380987 | HSDB 5441 | 2-PROPENOIC ACID, 1-METHYLETHY

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

E83845 | EINECS 211-710-7 | 5TMJ62Z1LW | AKOS013152960 | NSC 32619 | Isopropyl 2-propenoate | Isopropyl ester of 2-propenoic acid | Acrylic acid, isopropyl ester | FT-0632811 | iso-Propylacrylate | EN300-380987 | HSDB 5441 | 2-PROPENOIC ACID, 1-METHYLETHY

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508811689

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811689

Kanonisches Lächeln

CC(C)OC(=O)C=C

IUPAC Name

propan-2-yl prop-2-enoate

InChIKey

LYBIZMNPXTXVMV-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3

Isomere SMILES

CC(C)OC(=O)C=C

NSC-Nummer

NSC Number': ['32619

Molekulargewicht

114.14

Reaxy-Rn

1744900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744900&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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 114.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.700
• 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