2-Butene-1,4-diyl diacetate

Basic Information

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CAS Number

18621-75-5

Molecular Formula

C8H12O4

Molecular Weight

172.18 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

Boiling Point

231 ºC

Flash Point

108 ºC

Refractive Index

1.4435

SMILES

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

InChI

InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3

InChIKey

VZUAUHWZIKOMFC-UHFFFAOYSA-N

LogP

0.6688

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

164

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

DS-18468
18621-75-5
1576-98-3
1,4-Diacetoxy-trans-2-butene
CS-W022610
BAA57698
But-2-ene-1,4-diyl diacetate
4-(Acetyloxy)-2-butenyl acetate
(E)-but-2-ene-1,4-diyldiacetate
But-2-ene-1 pound not4-diyl diacetate
(2E)-4-(Acetyloxy)-2-butenyl acetate
trans-2-Butene-1,4-diol diacetate
2-Buten-1,4-diol, diacetate
(2E)-4-(ACETYLOXY)BUT-2-EN-1-YL ACETATE
A880671
2-Butene-1,4-dioldiacetate
SCHEMBL74779
AKOS006228874
2-Butene-1,4-diol, diacetate
TRANS-1,4-DIACETOXY-2-BUTENE
[(E)-4-acetyloxybut-2-enyl] acetate
2-Butene-1,4-diol diacetate
AKOS025310512
O11705
[(E)-4-acetoxybut-2-enyl] acetate
2-Butene-1,4-diol, 1,4-diacetate, (2E)-
(E)-but-2-ene-1,4-diyl diacetate
1,4-Diacetoxy-2-butene
2-BUTENE-1,4-DIOL DIACETATE
1,4-Diacetoxybutene
2-Butenylene acetate

MDL Number

MFCD00077968

FAQ

What is 2-Butene-1,4-diyl diacetate (CAS: 18621-75-5)?

2-Butene-1,4-diyl diacetate is a cyclic ester compound derived from 1,4-butylene glycol and acetic acid. It is characterized by a distinctive odor and is used in various applications, including pharmaceuticals, industry, and research.

What are the main uses of 2-Butene-1,4-diyl diacetate (CAS: 18621-75-5)?

2-Butene-1,4-diyl diacetate is primarily used in the pharmaceutical industry as a solvent and in the food industry as a flavor enhancer. It is also utilized in research for its chemical properties and in industrial applications for its stability and reactivity.

Is 2-Butene-1,4-diyl diacetate (CAS: 18621-75-5) safe?

2-Butene-1,4-diyl diacetate is generally considered safe for use under controlled conditions. However, it is important to follow safety guidelines, including proper handling, storage, and the use of personal protective equipment to avoid skin contact and inhalation.

How should 2-Butene-1,4-diyl diacetate (CAS: 18621-75-5) be stored?

2-Butene-1,4-diyl diacetate should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent degradation and ensure stability. The storage temperature should be below 30°C to maintain its quality and safety.