2-Benzyl-1,3-dioxolane - ≥98% , CAS No.101-49-5

CAS: 101-49-5 Cat. No.: B153143 Fórmula: C₁₀H₁₂O₂ Peso molecular: 164.2 Beilstein Registry Number: 19(3/4)220 Número CE: 202-946-1

GRAU & PUREZA ≥98%

Synonyms

WLN: T5O COTJ B1R | Phenylacetaldehyde ethylene acetal | EINECS 202-946-1 | 1,3-Dioxolane,2-(phenylmethyl)- | FT-0631537 | MFCD00003215 | AI3-31161 | Phenylacetaldehyde ethylene glycol acetal | DTXSID1059230 | Phenylacetaldehyde glycol acetal | SSZACLYPEF

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

WLN: T5O COTJ B1R | Phenylacetaldehyde ethylene acetal | EINECS 202-946-1 | 1,3-Dioxolane,2-(phenylmethyl)- | FT-0631537 | MFCD00003215 | AI3-31161 | Phenylacetaldehyde ethylene glycol acetal | DTXSID1059230 | Phenylacetaldehyde glycol acetal | SSZACLYPEF

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751393

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751393

Sorrisos canónicos

C1COC(O1)CC2=CC=CC=C2

IUPAC Name

2-benzyl-1,3-dioxolane

InChIKey

SSZACLYPEFCREM-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2

SMILES isoméricas

C1COC(O1)CC2=CC=CC=C2

RTECS

JH6768000

Peso molecular

164.2

Beilstein

19(3/4)220

Reaxy-Rn

117974

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117974&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Índice de refração: 1.52
• Ponto de inflamação (°F): 108°C(lit.)
• Ponto de inflamação (°C): 108°C(lit.)
• Ponto de ebulição (°C): 120°C/12mmHg
• Peso molecular: 164.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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