butyl glycolate - technical grade, ≥90%(GC) , CAS No.7397-62-8

CAS: 7397-62-8 Cat. No.: B134012 Molecular Weight: 132.16 Beilstein Registry Number: 1749477 EC Number: 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

Overview

Butyl glycolate is a glycolic acid derivative.
Butyl glycolate may be used in the preparation of N-(α-hydroxyacetyl)-(S)-isoleucine.

Specifications

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

Specifications & Purity

technical grade, ≥90%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Technical grade

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 488186018
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186018
• Canonical Smiles: 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
• Isomeric SMILES: CCCCOC(=O)CO
• WGK Germany: 1
• Molecular Weight: 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
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.427
• Flash Point(°F): 165.2 °F
• Flash Point(°C): 74 °C
• Boil Point(°C): 187-190 °C
• Molecular Weight: 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

References

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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]