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Ispropyl acetate - standard for GC,≥99.5%(GC), high purity , CAS No.108-21-4

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Item Number
I103453
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I103453-5ml
5ml
3
$25.90

Basic Description

Synonyms EINECS 203-561-1 | NSC 9295 | T-IsoPropyl Acetate | Tri IsoPropyl Acetate | A801824 | Isopropile(acetato di) | Isopropylester kyseliny octove | ISOPROPYL ACETATE (1,1,1,3,3,3-D6) | IPAc | Isopropylacetaat | Tox21_303287 | NCGC00091731-01 | ISOPROPYL ACETA
Specifications & Purity Standard for GC, ≥99.5%(GC)
Shipped In Normal
Grade Standard for GC

Taxonomic Classification

Taxonomy Tree

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  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 - 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name propan-2-yl acetate
INCHI InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChIKey JMMWKPVZQRWMSS-UHFFFAOYSA-N
Smiles CC(C)OC(=O)C
Isomeric SMILES CC(C)OC(=O)C
WGK Germany 1
RTECS AI4930000
UN Number 1220
Packing Group II
Molecular Weight 102.13
Beilstein 1740761
Reaxy-Rn 1740761
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740761&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number Certificate Type Date Item
F2520056 Certificate of Analysis Jul 02, 2025 I103453
D2418041 Certificate of Analysis Apr 27, 2024 I103453
K2108117 Certificate of Analysis Aug 11, 2023 I103453
C2303682 Certificate of Analysis Mar 14, 2023 I103453
J2228702 Certificate of Analysis Oct 31, 2022 I103453

Chemical and Physical Properties

Solubility Slightly soluble in water, miscible with most organic solvents such as alcohols, ethers, and esters.
Refractive Index 1.376-1.378
Flash Point(°F) 41.0 °F
Flash Point(°C) 5℃
Boil Point(°C) 89°C
Melt Point(°C) -73.4°C
Molecular Weight 102.130 g/mol
XLogP3 0.900
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 102.068 Da
Monoisotopic Mass 102.068 Da
Topological Polar Surface Area 26.300 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 66.500
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

Citations of This Product

1. Jinbei Yang, Yichun Huang, Yang Wang, Jinyi Chen, Meiqiong Yu.  (2023)  Isobaric Vapor–Liquid Equilibrium for Binary Systems of n-Butyric Acid with Water, Isopropyl Acetate, n-Propyl Acetate, and n-Methylpyrrolidone.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,  68  (8): (2037–2044). 
2. Shuang Chen, Jialing Lu, Michael Qian, Hongkui He, Anjun Li, Jun Zhang, Xiaomei Shen, Jiangjing Gao, Yan Xu.  (2021)  Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu).  Foods,  10  (11): (2888). 
3. Huimin Niu, Zidan Cao, Xiaoqing Yang, Jiao Sha, Yu Li, Tao Li, Baozeng Ren.  (2021)  The solubility data, Hansen solubility parameter and dissolution thermodynamic properties of riluzole in twelve organic solvents.  JOURNAL OF CHEMICAL THERMODYNAMICS,  162  (106569). 
4. Yanbo Liu, Mingyang Chen, Jiawei Lin, Maolin Li, Kang Li, Zhenguo Gao.  (2020)  Solubility Measurement and Data Correlation of Clopidogrel Hydrogen Sulfate (Form I) in Four Binary Solvents Systems at Temperature from 278.15 to 318.15 K.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,  65  (5): (2903–2911). 
5. Lingbo Feng, Wei Zhang, Minglan Ge, Yufeng Yi, Jieming Xiong.  (2020)  Liquid–Liquid Equilibrium Study for the Ternary System of Water + Acetic Acid + 2-Octanol.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,  65  (4): (1531–1537). 
6. Wang Li, Sang Ya-Xin, Wang Xiang-Hong.  (2019)  Enzyme-Linked Immunosorbent Assay for Okadaic Acid: Investigation of Analytical Conditions and Sample Matrix on Assay Performance.  JOURNAL OF AOAC INTERNATIONAL,  94  (5): (1531-1539). 
7. Xia Yin, Chaochen Du, Jingjing Li, Wenbo Jiang, Yigang Ding, Hongmei Du, Zhiping Du, Zhiguo Yan.  (2019)  Isobaric Vapor–Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Isopropyl Acetate, sec-Butyl Acetate, or Isoamyl Acetate at 101.3 kPa.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,  64  (12): (5225–5231). 
8. Tongtong Liu, Kai Wang, Yongxiu Chen, Shuangliang Zhao, Yongsheng Han.  (2019)  Dominant role of wettability in improving the specific capacitance.  Green Energy & Environment,  (171). 
9. Bing Jia, Chao Zhang, Kun Xin, Yingmin Yu, Qingsong Li.  (2017)  Measurement and Thermodynamic Modeling of Ternary (Liquid + Liquid) Equilibrium for Extraction of N,N-Dimethylacetamide from Aqueous Solution with Different Solvents.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,  62  (6): (1859–1864). 
10. Jun-Hui Deng, Tong-Bu Lu, Changquan Calvin Sun, Jia-Mei Chen.  (2017)  Dapagliflozin-citric acid cocrystal showing better solid state properties than dapagliflozin.  EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES,  104  (255). 
11. Alsadig Yahya, Abdeen Elkhedir, Mamoun A. Homaida, Yassin Haran, Ikhlas Galal-Eldin, Yassin Taha, Ezzalden Saleh.  (2024)  Lemon juice pretreatment as a strategy to preserve the quality and enhance the texture of cooked potato slices of different sizes.  Food Chemistry-X,  24  (101800). 
12. Jingren Li, Ronghua Peng, Wei Li, Shilin Guo, Yanbo Liu, Zhenkai Cen, Dandan Han, Songgu Wu, Junbo Gong.  (2024)  Preparation and Formation Mechanism of Spherical Particles with High Quality: A Case Study of l-Isoleucine.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  63  (33): (14849-14862). 
13. Pengshuai Zhang, Keyi Lu, Han Sun, Chunxia Jin, Ranran Feng, Jixiu Deng, Jiaqi Sun, Shuwei Yu, Beibei Zhang, Lu Zhang, Jianzheng Li.  (2024)  Solid-liquid equilibrium solubility, modeling, Hansen solubility parameter and thermodynamic analysis of 2-Mercaptobenzimidazole in eleven mono-solvents and three binary solvents at different temperatures.  FLUID PHASE EQUILIBRIA,  580  (114036). 

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