Ethylene glycol butyl ether acetate (BAC) - ≥98% , CAS No.112-07-2

CAS: 112-07-2 Cat. No.: B111057 Molecular Weight: 160.21 Beilstein Registry Number: 1756960 EC Number: 203-933-3

GRADE & PURITY ≥98%

Synonyms

Glycol monobutyl ether acetate | 2-Butoxyethylester kyseliny octove [Czech] | MFCD00009457 | AKOS015901539 | n-Butoxyethanol acetate | Acetic acid, 2-butoxyethyl ester | NCGC00163968-01 | NCGC00163968-02 | Ethylene glycol butyl ether acetate | NCGC0025703

Storage

Desiccated,Room temperature

Shipped In

Normal

Overview

2-Butoxyethyl acetate is one of the components of Jiashi melon juice and was identified by gas chromatography-mass spectrometry-olfactometry (GC-MS-O) analysis. It stimulated the release of prostaglandin E(2), an arachidonic acid metabolite, in human epidermal keratinocytes

Specifications

Synonyms

Glycol monobutyl ether acetate | 2-Butoxyethylester kyseliny octove [Czech] | MFCD00009457 | AKOS015901539 | n-Butoxyethanol acetate | Acetic acid, 2-butoxyethyl ester | NCGC00163968-01 | NCGC00163968-02 | Ethylene glycol butyl ether acetate | NCGC0025703

Specifications & Purity

≥98%

Storage

Desiccated, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180707
• Canonical Smiles: CCCCOCCOC(=O)C
• IUPAC Name: 2-butoxyethyl acetate
• InChIKey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N
• INCHI: 1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
• Isomeric SMILES: CCCCOCCOC(=O)C
• WGK Germany: 1
• RTECS: KJ8925000
• Molecular Weight: 160.21
• Beilstein: 1756960
• Reaxy-Rn: 1756960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756960&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 Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with hydrocarbons and organic solvents. Slightly miscible with water
• Refractive Index: 1.412-1.414
• Flash Point(°F): 168.8 °F
• Flash Point(°C): 76℃
• Boil Point(°C): 192°C
• Melt Point(°C): -63°C
• Molecular Weight: 160.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 160.11 Da
• Monoisotopic Mass: 160.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 102.000
• 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

References

1. Jun Shao, Songwang Yang, Lei Lei, Qipeng Cao, Yu Yu, Yan Liu.  (2016)  Pore Size Dependent Hysteresis Elimination in Perovskite Solar Cells Based on Highly Porous TiO2 Films with Widely Tunable Pores of 15–34 nm.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.6b03445]

2. Jiaying Zheng, Jiao Liu, Gaohong Wu, Tengfei Tian, Haitao Wang, Jie Li, Weiwei Huan, Xiaojuan Liang, Weidong Xiang.  (2024)  High-thermal-conductivity YAGG:Ce color converters on AlN substrate enabling high power and superior luminance in static and dynamic reflective laser illumination.  JOURNAL OF RARE EARTHS,      [PMID:] [10.1016/j.jre.2024.12.024]

3. Shiliang Wu, Hongfei Bie, Xin Zhou, André L. Boehman.  (2024)  The influence of carbon chain length and branch chain effect on the low-temperature combustion characteristics of bio-based ether-ester double functional group fuel.  FUEL,      [PMID:] [10.1016/j.fuel.2024.133450]