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2-Methyl-1,4-phenylene Bis[4-[[[4-(acryloyloxy)butoxy]carbonyl]oxy]benzoate] - 95%, high purity , CAS No.187585-64-4

COA

Grade & Purity:

≥95%

Cas Number: 187585-64-4
Molecular Weight: 704.68
MDL number: MFCD30179603
PubChem CID: 21351348
PubChem SID: 488199878

In stock

Item Number

M404743

Grouped product items
SKU	Size	Availability	Price
M404743-1g	1g	10	$44.90
M404743-5g	5g	8	$204.90
M404743-25g	25g	4	$683.90
M404743-100g	100g	1	$2,461.90

Basic Description

Synonyms	M3368 \| A905716 \| C37H36O14 \| BCP12367 \| AKOS027460705 \| 1,1'-(2-Methyl-1,4-phenylene) bis[4-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]benzoate] \| 2-methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy) carbonyl)oxy)benzoate) \| 3-methyl-4-[4-({[4-
Specifications & Purity	≥95%
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Depsides and depsidones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Depsides and depsidones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Depsides and depsidones
Alternative Parents	Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Toluenes Dicarboxylic acids and derivatives Carbonic acid diesters Acrylic acid esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Depside backbone - Phenol ester - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Toluene - Carbonic acid diester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Acrylic acid ester - Benzenoid - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carbonic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
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	488199878
IUPAC Name	[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
INCHI	InChI=1S/C37H36O14/c1-4-32(38)44-20-6-8-22-46-36(42)49-28-14-10-26(11-15-28)34(40)48-30-18-19-31(25(3)24-30)51-35(41)27-12-16-29(17-13-27)50-37(43)47-23-9-7-21-45-33(39)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3
InChIKey	ZKBUNGNDTCOGEU-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OC(=O)OCCCCOC(=O)C=C
Isomeric SMILES	CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OC(=O)OCCCCOC(=O)C=C
Molecular Weight	704.68
Reaxy-Rn	23306465
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23306465&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
I2227502	Certificate of Analysis	Jul 09, 2025	M404743
I2227545	Certificate of Analysis	Jul 09, 2025	M404743
I2227623	Certificate of Analysis	Jul 09, 2025	M404743
I2227469	Certificate of Analysis	Jul 09, 2025	M404743
D2321457	Certificate of Analysis	Aug 15, 2022	M404743

Chemical and Physical Properties

Sensitivity	Air Sensitive
Melt Point(°C)	60 °C
Molecular Weight	704.700 g/mol
XLogP3	7.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	26
Exact Mass	704.211 Da
Monoisotopic Mass	704.211 Da
Topological Polar Surface Area	176.000 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1170.000
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

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