Isobornyl methacrylate - 50-150 ppm MEHQ stabilizer , CAS No.7534-94-3

CAS: 7534-94-3 Cat. No.: I102358 Peso molecular: 222.32 Número EC: 231-403-1

GRADE & PURITY 50-150 ppm MEHQ stabilizer

Synonyms

EM 90 | 2-Propenoic acid, 2-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- | Acryester | ACRYESTER IBX | 2-Propenoic acid, 2-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel- | IBXMA | Methacrylic acid, isobornyl ester |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EM 90 | 2-Propenoic acid, 2-methyl-, 1, 7, 7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo- | Acryester | ACRYESTER IBX | 2-Propenoic acid, 2-methyl-, (1R, 2R, 4R)-1, 7, 7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel- | IBXMA | Methacrylic acid, isobornyl ester |

Especificaciones y pureza

50-150 ppm MEHQ stabilizer

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504760312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760312
• Sonrisas canónicas: CC(=C)C(=O)OC1CC2CCC1(C2(C)C)C
• IUPAC Name: [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
• InChIKey: IAXXETNIOYFMLW-GYSYKLTISA-N
• INCHI: 1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1
• Isómeros SMILES: CC(=C)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C
• WGK Alemania: 2
• Peso molecular: 222.32
• Reaxy-Rn: 10180908
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10180908&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Bornane monoterpenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Very soluble in Alcohol
• Índice de refracción: 1.4750 to 1.4790
• Punto de inflamación (°F): 237.2 °F
• Punto de inflamación (°C): 114 °C
• Punto de ebullición (°C): 129°C/15mmHg
• Peso molecular: 222.320 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.162 Da
• Monoisotopic Mass: 222.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

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