Diethyl isophthalate

Basic Information

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CAS Number

636-53-3

Molecular Formula

C12H14O4

Molecular Weight

222.24 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

Melting Point

11.5°C

Boiling Point

302°C at 760 mmHg

Density

1.1239

Refractive Index

1.5080 (estimate)

SMILES

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CCOC(=O)C1=CC(=CC=C1)C(=O)OCC

InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChIKey

JLVWYWVLMFVCDI-UHFFFAOYSA-N

LogP

2.04

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

225

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

BRN 2052705
Isophthalic acid, diethyl ester
A834453
isophthalic acid diethyl ester
DIETHYL ISOPHTHALATE [HSDB]
SY024509
Diethyl m-phthalate
1,3-Benzenedicarboxylic acid, 1,3-diethyl ester
DTXSID5027277
CS-W018868
GS-3111
EINECS 211-260-1
E1QJK560FY
1,3-diethyl benzene-1,3-dicarboxylate
NSC 249815
FT-0624904
Diethyl isophthlate
NSC249815
SCHEMBL110276
AKOS015890689
HSDB 5732
UNII-E1QJK560FY
MFCD01717556
1,3-Benzenedicarboxylic acid, diethyl ester
DIETHYL ISOPHTHALATE
Isophthalic acid diethylester
diethyl benzene-1,3-dicarboxylate
AMY30311
636-53-3
NS00035519
I10253

MDL Number

MFCD01717556

Customs Code

2917399090

FAQ

What regulatory guidelines apply to Diethyl isophthalate (CAS: 636-53-3)?

Diethyl isophthalate (CAS: 636-53-3) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Specific handling and storage guidelines are outlined in these documents, including hazard communication, workplace exposure limits, and waste disposal procedures.

Are there alternatives to Diethyl isophthalate (CAS: 636-53-3) in synthesis?

There are several alternatives to Diethyl isophthalate (CAS: 636-53-3) in synthesis, including isophthalic acid, terephthalic acid, and their corresponding monoethyl esters. These alternatives can be used depending on the specific application and the desired properties of the final product.

What is the market or research trend for Diethyl isophthalate (CAS: 636-53-3)?

The market trend for Diethyl isophthalate (CAS: 636-53-3) shows increasing demand in the plastic and polymer industry due to its use as a monomer. Research trends focus on developing more sustainable and eco-friendly alternatives. Additionally, there is growing interest in the evaluation of its environmental impact and the search for safer and more efficient synthesis methods.

How should waste containing Diethyl isophthalate (CAS: 636-53-3) be handled?

Waste containing Diethyl isophthalate (CAS: 636-53-3) should be collected and stored in a sealed container, properly labeled, and disposed of according to local regulations. Incineration is a common method for disposal, but professional waste disposal services should be considered for large quantities or specific environmental concerns. Always follow safety precautions and consult local waste management guidelines for disposal instructions.