glicolato de butilo - grado técnico, ≥90%(GC) , CAS No.7397-62-8

CAS: 7397-62-8 Cat. No.: B134012 Peso molecular: 132.16 Beilstein Registry Number: 1749477 Número EC: 230-991-7

GRADE & PURITY Technical grade, ≥90%(GC)

Synonyms

AKOS009157665 | 3-FLUOROPYRIDINE-5-METHANOL | n-butyl hydroxyacetate | Butyl hydroxyacetate | 3H5QAS0HZX | NCGC00256074-01 | DTXCID4024725 | Acetic acid, 2-hydroxy-, butyl ester | 2H-Indol-2-one, 5-chloro-1,3-dihydro- | Butyl glycollate | Q27257204 | SY10

Storage

Room temperature

Shipped In

Normal

Descripción general

El butil glicolato es un derivado del ácido glicólico.
El butilglicolato puede utilizarse en la preparación de N-(α-hidroxiacetíl)-(S)-isoleucina.

Specifications

Sinónimos

AKOS009157665 | 3-FLUOROPYRIDINE-5-METHANOL | n-butyl hydroxyacetate | Butyl hydroxyacetate | 3H5QAS0HZX | NCGC00256074-01 | DTXCID4024725 | Acetic acid, 2-hydroxy-, butyl ester | 2H-Indol-2-one, 5-chloro-1, 3-dihydro- | Butyl glycollate | Q27257204 | SY10

Especificaciones y pureza

grado técnico, ≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Technical grade

Pureza

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 488186018
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186018
• Sonrisas canónicas: CCCCOC(=O)CO
• IUPAC Name: butyl 2-hydroxyacetate
• InChIKey: VFGRALUHHHDIQI-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3
• Isómeros SMILES: CCCCOC(=O)CO
• WGK Alemania: 1
• Peso molecular: 132.16
• Beilstein: 1749477
• Reaxy-Rn: 1749477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749477&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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: 1.427
• Punto de inflamación (°F): 165.2 °F
• Punto de inflamación (°C): 74 °C
• Punto de ebullición (°C): 187-190 °C
• Peso molecular: 132.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.400
• 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

Referencias

1. Suling Zhang, Qi You, Xiaocong Zhuo, Zijie Shi, Weixuan Yao, Ting Lü, Dong Zhang.  (2023)  Rapid and simple determination of organophosphorus pesticides in urine using polydopamine-modified monolithic spin column extraction combined with liquid chromatography–mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37028207] [10.1016/j.chroma.2023.463959]

2. Han Yan, Xin Shu, Dongliang Zhou, Yong Yang, Lu Chen, Qianping Ran.  (2022)  Durability Improvement of Cement Using Amphiphilic Calcium Carbonate Nanoparticles.  Coatings,  12  (10): (1431).  [PMID:] [10.3390/coatings12101431]

3. Jiangdong Dai, Yongli Zou, Zhiping Zhou, Xiaohui Dai, Jianming Pan, Ping Yu, Tianbian Zou, Yongsheng Yan, Chunxiang Li.  (2013)  Narrowly dispersed imprinted microspheres with hydrophilic polymer brushes for the selective removal of sulfamethazine.  RSC Advances,  4  (4): (1965-1973).  [PMID:] [10.1039/C3RA44602F]

4. Jérémie Courtois, Heping Jin, Hongyu Chen, Hongping Zhang, Wei Feng.  (2024)  Superparamagnetic iron oxide nanoparticles functionalized with on-demand redox-responsive contractible coordination polymer brush as molecular actuator driven by π-dimerization.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.126303]