Hydroxypropyl methacrylate (HPMA) - ≥97%, stabilized with s0.02% 4-methoxyphenol , CAS No.27813-02-1

CAS: 27813-02-1 Cat. No.: H109880 Formula: C₇H₁₂O₃ Molecular Weight: 144.17 Beilstein Registry Number: 1752228 EC Number: 248-666-3

GRADE & PURITY ≥97%, stabilized with s0.02% 4-methoxyphenol

Synonyms

2-Hydroxypropylmethacrylate | 2-hydroxypropyl 2-methylprop-2-enoate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-Hydroxypropylmethacrylate | 2-hydroxypropyl 2-methylprop-2-enoate

Specifications & Purity

≥97%, stabilized with s0.02% 4-methoxyphenol

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

504752458

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752458

Canonical Smiles

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

IUPAC Name

2-hydroxypropyl 2-methylprop-2-enoate

InChIKey

VHSHLMUCYSAUQU-UHFFFAOYSA-N

INCHI

1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3

Isomeric SMILES

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

WGK Germany

1

RTECS

UD3442500

Molecular Weight

144.17

Beilstein

1752228

Reaxy-Rn

1752228

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752228&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Secondary alcohol - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• External Descriptors: enoate ester

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Refractive Index: 1.447
• Flash Point(°F): 203 °F
• Flash Point(°C): 95 °C
• Boil Point(°C): 57°C
• Molecular Weight: 144.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1