Diallyl (2Z)-2-butenedioate

Basic Information

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CAS Number

999-21-3

Molecular Formula

C10H12O4

Molecular Weight

392.4 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

Basic Physical Properties

Melting Point

-47°C

Boiling Point

154°C/15mmHg

Density

1.074 g/mL at 20 °C

Water Solubility

Soluble in water 151.2 mg/L @ 25°C.

Refractive Index

n20/D 1.469(lit.)

Vapor Pressure

4 mmHg ( 25 °C)

SMILES

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

InChI

InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-

InChIKey

ZPOLOEWJWXZUSP-WAYWQWQTSA-N

LogP

2.6054000000000004

Topological Polar Surface Area

127.2 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

227

Safety Information

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GHS Hazard Pictograms

H301

H312

H315

H319

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Butenedioic Acid Diallyl Ester
M0008
2-Butenedioic acid (Z)-, di-2-propenyl ester
W-100009
NSC4799
Diprop-2-en-1-yl (2Z)-but-2-enedioate
Maleic Acid Diallyl Ester
bis(prop-2-enyl) but-2-enedioate
AKOS025310585
CAS-999-21-3
Sipomer DAM
AI3-02531
WLN: 1U2OV1U1VO2U1
NCGC00256226-01
Diallyl maleate
Diallyl maleate, technical grade, 93%
E76532
NS00076815
2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester
Diallyl maleate, 97%
NSC-4799
2-Butenedioic acid (2Z)-, di-2-propenyl ester
D5508
Diallylester kyseliny maleinove
MFCD00010763
DIAM
NSC 4799
Tox21_301470
227660Q54M
SCHEMBL36139
999-21-3

MDL Number

MFCD00010763

Customs Code

2917190090

FAQ

What is Diallyl (2Z)-2-butenedioate (CAS: 999-21-3)?

Diallyl (2Z)-2-butenedioate, with the CAS number 999-21-3, is a chemical compound classified as a diester. It has the molecular formula C10H14O4 and is known for its stability and reactivity in organic synthesis. This compound is commonly used as a crosslinking agent in polymer chemistry due to its ability to form reactive intermediates. Its structure features two allyl groups connected to a conjugated diene dicarboxylic acid backbone, making it valuable in various chemical applications.

What are the main uses of Diallyl (2Z)-2-butenedioate (CAS: 999-21-3)?

Diallyl (2Z)-2-butenedioate (CAS: 999-21-3) is primarily utilized in pharmaceuticals as a stabilizer for certain drug formulations. It also finds applications in industrial coatings and adhesives due to its polymer-forming capabilities. In research settings, it serves as a precursor for synthesizing complex organic molecules. Additionally, it is used in the food industry as an additive to enhance shelf life, though specific regulatory approvals may vary by region.

Is Diallyl (2Z)-2-butenedioate (CAS: 999-21-3) safe?

Diallyl (2Z)-2-butenedioate (CAS: 999-21-3) is generally considered safe when handled properly, but it requires caution. Limited toxicity data suggests potential skin and eye irritation upon contact. Safety measures include using gloves, goggles, and ensuring adequate ventilation. It is advisable to follow OSHA guidelines and avoid ingestion or prolonged exposure. Always consult safety data sheets (SDS) for specific handling protocols.

How should Diallyl (2Z)-2-butenedioate (CAS: 999-21-3) be stored?

Diallyl (2Z)-2-butenedioate (CAS: 999-21-3) should be stored in a cool, dry, and well-ventilated area, away from direct light. It is recommended to keep it in a tightly sealed container to prevent moisture absorption and contamination. Stability is maintained under normal storage conditions, but extreme temperatures should be avoided. Store in an inert atmosphere if handling in high-risk environments to ensure longevity and safety.