Dibenzyl oxalate

Basic Information

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CAS Number

7579-36-4

Molecular Formula

C16H14O4

Molecular Weight

270.28 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

80-82 °C

Boiling Point

235 °C/14 mmHg

Density

1.212

Flash Point

171 ºC

Refractive Index

1.5447 (estimate)

SMILES

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C1=CC=C(C=C1)COC(=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H14O4/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

ZYZXGWGQYNTGAU-UHFFFAOYSA-N

LogP

2.4732000000000003

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

282

Safety Information

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Hazard Statement

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

SCHEMBL27144
Oxalic acid, dibenzyl ester
A838509
AKOS015890675
DTXSID4038926
AI3-32527
NCGC00255610-01
NSC 52550
Dibenzyl Oxylate
MFCD00426620
FT-0636529
Q27272260
SR-01000196546-1
Dibenzyl oxalate
dibenzyl ethanedioate
AC-10401
CS-0156259
CBDivE_003159
NSC52550
NS00037727
Tox21_301279
Dibenzyl oxalate, 98%
dibenzyloxalat
J47.316B
UNII-9A31Q81DDC
SR-01000196546
7579-36-4
NSC-52550
CHEMBL3184779
Ethanedioic acid, bis(phenylmethyl) ester
DTXCID2018926

MDL Number

MFCD00426620

Customs Code

29171100

FAQ

What are the physical and chemical properties of Dibenzyl oxalate (CAS: 7579-36-4)?

Dibenzyl oxalate (CAS: 7579-36-4) is a crystalline compound with a molecular weight of approximately 264.27 g/mol. It has a low solubility in water but is soluble in common organic solvents such as ethanol and acetone. Chemically, it is less reactive compared to other oxalates, showing limited reactivity with metals and other reagents under typical laboratory conditions.

How is Dibenzyl oxalate (CAS: 7579-36-4) typically synthesized?

Dibenzyl oxalate (CAS: 7579-36-4) is commonly synthesized by the reaction of oxalic acid with benzyl chloride in the presence of a base like sodium hydroxide. The yield is typically around 70-80%, and the reaction is conducted in an aqueous medium. The product is then isolated and purified by recrystallization from ethanol.

What industries use Dibenzyl oxalate (CAS: 7579-36-4)?

Dibenzyl oxalate (CAS: 7579-36-4) is used in various industries, including pharmaceuticals for its role as a stabilizer and antioxidant, in polymer synthesis as a modifier, and in the production of sensors and semiconductors where its unique chemical properties are leveraged.

What precautions should be taken when handling Dibenzyl oxalate (CAS: 7579-36-4)?

When handling Dibenzyl oxalate (CAS: 7579-36-4), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Handle in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.