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Ispropyl acetate - analytical standard,≥99.8%(GC), high purity , CAS No.108-21-4

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Ispropyl acetate - analytical standard,≥99.8%(GC), high purity , CAS No.108-21-4

13 Citations

COA

Grade & Purity:

analytical standard

≥99.8%(GC)

Cas Number: 108-21-4
Molecular Weight: 102.13
Beilstein Registry Number: 1740761
EC Number: 203-561-1
MDL number: MFCD00008877
PubChem CID: 7915

In stock

Item Number

I103455

Grouped product items
SKU	Size	Availability	Price
I103455-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$42.90
I103455-5ml	5ml	3	$140.90
I103455-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$623.90
I103455-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,240.90

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	analytical standard, ≥99.8%(GC)
Shipped In	Normal
Grade	analytical standard

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 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
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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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.

11 results found

Lot Number	Certificate Type	Date	Item
C2303743	Certificate of Analysis	Dec 05, 2024	I103455
J2228661	Certificate of Analysis	Aug 13, 2024	I103455
D2418042	Certificate of Analysis	Jul 30, 2024	I103455
D2418043	Certificate of Analysis	Apr 26, 2024	I103455
D2416026	Certificate of Analysis	Apr 24, 2024	I103455
K2108119	Certificate of Analysis	Aug 01, 2023	I103455
G2110257	Certificate of Analysis	Apr 14, 2023	I103455
G2110256	Certificate of Analysis	Apr 14, 2023	I103455
C2303681	Certificate of Analysis	Feb 24, 2023	I103455
C2303678	Certificate of Analysis	Feb 24, 2023	I103455
J2228660	Certificate of Analysis	Oct 17, 2022	I103455

Show more⌵

Chemical and Physical Properties

Solubility	Slightly soluble in water, miscible with most organic solvents such as alcohols, ethers, and esters.
Sensitivity	Moisture sensitive
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 Å²
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

How to Cite Aladdin Scientific Products? Citations Search

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