3-(benzyloxy)propanoic acid - ≥97% , CAS No.27912-85-2

CAS: 27912-85-2 Cat. No.: B340507 Peso molecular: 180.2 Número EC: 810-561-0

GRADE & PURITY ≥97%

Synonyms

Z316258802 | OZGUGVRKYBSDBN-UHFFFAOYSA-N | 3-phenylmethoxypropanoic acid | Propanoic acid, 3-(phenylmethoxy)- | E10175 | 3-BENZYLOXYPROPIONIC ACID | 3-Benzyloxy-propionic acid | AKOS000194908 | SCHEMBL508419 | 3-(benzyloxy)propanoicacid | AS-19409 | FT-06

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

3-(benzyloxy)propanoic acid is a reagent used in hydroxypropionyl alkylation.

Specifications

Sinónimos

Z316258802 | OZGUGVRKYBSDBN-UHFFFAOYSA-N | 3-phenylmethoxypropanoic acid | Propanoic acid, 3-(phenylmethoxy)- | E10175 | 3-BENZYLOXYPROPIONIC ACID | 3-Benzyloxy-propionic acid | AKOS000194908 | SCHEMBL508419 | 3-(benzyloxy)propanoicacid | AS-19409 | FT-06

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504767911
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767911
• Sonrisas canónicas: C1=CC=C(C=C1)COCCC(=O)O
• IUPAC Name: 3-phenylmethoxypropanoic acid
• InChIKey: OZGUGVRKYBSDBN-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
• Isómeros SMILES: C1=CC=C(C=C1)COCCC(=O)O
• Peso molecular: 180.2
• Reaxy-Rn: 2264020
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2264020&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=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

Propiedades químicas y físicas

• Índice de refracción: n20D1.53 (Predicted)
• Punto de ebullición (°C): ~313.9° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 92.21° C (Predicted)
• Peso molecular: 180.200 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 150.000
• 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