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Iso-propylacrylate - 95%, high purity , CAS No.689-12-3

COA

Grade & Purity:

≥95%

Cas Number: 689-12-3
Molecular Weight: 114.14
EC Number: ‘211-710-7
PubChem CID: 12716

In stock

Item Number

I589892

Grouped product items
SKU	Size	Availability	Price
I589892-1g	1g	2	$34.90
I589892-5g	5g	2	$118.90
I589892-25g	25g	1	$531.90

Basic Description

Synonyms	E83845 \| EINECS 211-710-7 \| 5TMJ62Z1LW \| AKOS013152960 \| NSC 32619 \| Isopropyl 2-propenoate \| Isopropyl ester of 2-propenoic acid \| Acrylic acid, isopropyl ester \| FT-0632811 \| iso-Propylacrylate \| EN300-380987 \| HSDB 5441 \| 2-PROPENOIC ACID, 1-METHYLETHY
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Acrylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Acrylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acrylic acid esters
Alternative Parents	Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acrylic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 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 acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
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

IUPAC Name	propan-2-yl prop-2-enoate
INCHI	InChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3
InChIKey	LYBIZMNPXTXVMV-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)C=C
Isomeric SMILES	CC(C)OC(=O)C=C
NSC Number	NSC Number': ['32619
Molecular Weight	114.14
Reaxy-Rn	1744900
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744900&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.

3 results found

Lot Number	Certificate Type	Date	Item
I2306247	Certificate of Analysis	Aug 19, 2023	I589892
I2306225	Certificate of Analysis	Aug 19, 2023	I589892
I2306248	Certificate of Analysis	Aug 19, 2023	I589892

Chemical and Physical Properties

Molecular Weight	114.140 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068 Da
Monoisotopic Mass	114.068 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	94.700
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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