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Isopropyl Propionate - >97.0%(GC), high purity , CAS No.637-78-5

1 Citations

COA

Grade & Purity:

≥97%(GC)

Cas Number: 637-78-5
Molecular Weight: 116.16
Beilstein Registry Number: 2(4)708
MDL number: MFCD00051553
PubChem CID: 12508
PubChem SID: 488181685

In stock

Item Number

I157496

Grouped product items
SKU	Size	Availability	Price
I157496-25ml	25ml	6	$25.90
I157496-100ml	100ml	9	$92.90
I157496-500ml	500ml	1	$169.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	Isopropyl propionate [UN2409] [Flammable liquid] \| UN2409 \| FEMA 2959 \| FEMA No. 2959 \| MFCD00051553 \| Propionic acid, isopropyl ester \| UNII-NGB0AK08T9 \| EINECS 211-300-8 \| FT-0627466 \| P0507 \| SCHEMBL128684 \| ISOPROPYL PROPIONATE \| iso-propyl propionat
Specifications & Purity	≥97%(GC)
Shipped In	Normal

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

Names and Identifiers

Pubchem Sid	488181685
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181685
IUPAC Name	propan-2-yl propanoate
INCHI	InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChIKey	IJMWOMHMDSDKGK-UHFFFAOYSA-N
Smiles	CCC(=O)OC(C)C
Isomeric SMILES	CCC(=O)OC(C)C
UN Number	2409
Packing Group	II
Molecular Weight	116.16
Beilstein	2(4)708
Reaxy-Rn	1699921
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699921&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.

6 results found

Lot Number	Certificate Type	Date	Item
D2425258	Certificate of Analysis	Mar 16, 2024	I157496
D2425375	Certificate of Analysis	Mar 16, 2024	I157496
B2019077	Certificate of Analysis	Dec 13, 2023	I157496
A2507121	Certificate of Analysis	Sep 27, 2021	I157496
D2315443	Certificate of Analysis	Sep 27, 2021	I157496
D2315453	Certificate of Analysis	Sep 27, 2021	I157496

Chemical and Physical Properties

Solubility	Slightly soluble in water
Refractive Index	1.3850 to 1.3870
Flash Point(°F)	15°C
Flash Point(°C)	15°C
Boil Point(°C)	108°C
Molecular Weight	116.160 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	116.084 Da
Monoisotopic Mass	116.084 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.600
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

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