2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate)

Basic Information

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CAS Number

187585-64-4

Molecular Formula

C37H36O14

Molecular Weight

704.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

816.7±65.0°C at 760 mmHg

Solubility

Insuluble (9.2E-5 g/L) (25 ºC),

SMILES

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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

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

LogP

6.483020000000008

Topological Polar Surface Area

176.26 Å²

Hydrogen Bond Donor/Acceptor

0 / 14

Complexity

1170

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

LC242
HCM-002
2-Methyl-1,4-phenylene bis(4-(((4-(acryloyl oxy)butoxy)carbonyl)oxy)benzoate)
4-[[[4-[(1-Oxo-2-propenyl)oxy]butoxy]carbonyl]oxy]benzoic acid 2-methyl-1,4-phenylene ester
Paliocolor LC 242
2-methylbenzene-1,4-diyl bis[4-({[4-(acryloyloxy)butoxy]carbonyl}oxy)benzoate]
Benzoic acid, 4-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]-, 1,1'-(2-methyl-1,4-phenylene) ester
C37 H36 O14
2-methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate)
AK542472
Bis[4-[4-(acryloyloxy)butoxycarbonyloxy]benzoic acid]2-methyl-p-phenylene ester
3-methyl-4-[4-({[4-(prop-2-enoyloxy)butoxy]carbonyl}oxy)benzoyloxy]phenyl 4-({[4-(prop-2-enoyloxy)butoxy]carbonyl}oxy)benzoate
M3368
2-methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy) carbonyl)oxy)benzoate)
MFCD30179603
2-Methyl-1,4-phenylene Bis[4-[[[4-(acryloyloxy)butoxy]carbonyl]oxy]benzoate]
SB66931
2-methyl-1,4-phenylenebis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate)
SCHEMBL453621
A905716
C73594
[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
DS-19158
LC-242;LC 242;Paliocolor LC 242
187585-64-4
DB-324027
SY316575
C37H36O14
1,1a(2)-(2-Methyl-1,4-phenylene) bis[4-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]benzoate]
BCP12367
DTXSID001116343

MDL Number

MFCD30179603

FAQ

What are the physical and chemical properties of 2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate (CAS: 187585-64-4)?

2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate has a crystalline form with a molecular weight of approximately 718.85 g/mol. It is soluble in organic solvents like DMSO, THF, and DMF. The compound exhibits moderate reactivity towards nucleophiles and electrophiles due to its ester and acrylate functionalities.

How is 2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate (CAS: 187585-64-4) typically synthesized?

2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate is typically synthesized via the condensation of 2-methyl-1,4-phenylene diisocyanate with 4-(acryloyloxy)butoxy acetic acid, followed by a coupling reaction. The synthesis involves mild conditions and the use of catalysts to enhance selectivity and yield.

What industries use 2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate (CAS: 187585-64-4)?

2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate is used in the pharmaceutical industry for the synthesis of drug intermediates, in polymer chemistry for the development of functional polymers, and in the electronics sector for sensor applications due to its reactive functional groups.

What precautions should be taken when handling 2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate (CAS: 187585-64-4)?

Handling 2-Methyl-1,4-phenylene bis(4-(((4-(acryloyloxy)butoxy)carbonyl)oxy)benzoate requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or in a fume hood. Spills should be cleaned up using appropriate chemical spill kits and proper disposal methods should be followed. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.