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

CAS: 689-12-3 Cat. No.: I589892 Formula: C₆H₁₀O₂ Peso molecolare: 114.14 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508811689
• Sorrisi canonici: 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
• Isomeri SMILES: CC(C)OC(=O)C=C
• Numero NSC: NSC Number': ['32619
• Peso molecolare: 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
    • Classe Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Riferimenti

1. Wu Shilong, Zeng Xi, Yang Huanhuan, Huang Qian, Chen Quan.  (2026)  Effect of α-Substituent in Poly(methyl)acrylate on Segmental and Chain Dynamics.  MACROMOLECULES,  59  (14): (8364-8374).  [PMID:] [10.1021/acs.macromol.6c00510]