(2,3-Epoxypropyl)benzene - ≥97% , CAS No.4436-24-2

CAS: 4436-24-2 Cat. No.: E472459 Formula: C₉H₁₀O Molecular Weight: 134.17 EC Number: 628-336-9

GRADE & PURITY ≥97%

Synonyms

MFCD01075131 | SCHEMBL51254 | 2,3-Epoxypropyl benzene | (2.3-epoxypropyl)benzene | BRN 0108023 | Phenylpropylene oxide | Q27283046 | NSC 4327 | 2,3-EPOXY-1-PHENYLPROPANE | Allylbenzene-2',3'-oxide | Allylbenzene 2',3'-epoxide | Benzyloxirane | EN300-11988

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD01075131 | SCHEMBL51254 | 2,3-Epoxypropyl benzene | (2.3-epoxypropyl)benzene | BRN 0108023 | Phenylpropylene oxide | Q27283046 | NSC 4327 | 2,3-EPOXY-1-PHENYLPROPANE | Allylbenzene-2',3'-oxide | Allylbenzene 2',3'-epoxide | Benzyloxirane | EN300-11988

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488186859
• Canonical Smiles: C1C(O1)CC2=CC=CC=C2
• IUPAC Name: 2-benzyloxirane
• InChIKey: JFDMLXYWGLECEY-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2
• Isomeric SMILES: C1C(O1)CC2=CC=CC=C2
• Molecular Weight: 134.17
• Reaxy-Rn: 108023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108023&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.523 (lit.)
• Boil Point(°C): 98-100 °C/17 mmHg (lit.)
• Molecular Weight: 134.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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

References

1. Weiqing Lan, Zhe Shao, Jintao Du, Xuening Chen, Jing Xie.  (2023)  Insight into the antibacterial activity and mechanism of allicin and antioxidant of bamboo leaves against Shewanella putrefaciens.  INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,  59  (1): (390-398).  [PMID:] [10.1111/ijfs.16821]

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4436-24-2, the molecular formula is C9H10O, and the molecular weight is 134.17 g/mol. InChIKey JFDMLXYWGLECEY-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.