(E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane

Basic Information

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CAS Number

94089-21-1

Molecular Formula

C9H16O2

Molecular Weight

156.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCCC=CC1OCC(O1)C

InChI

InChI=1S/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+

InChIKey

WMWBRDXHCMVBJG-AATRIKPKSA-N

LogP

2.1041

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

132

Synonyms & References

English

trans-2-Hexenal propyleneglycol acetal
(E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane
4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxolane
1,3-Dioxolane, 4-methyl-2-(1-pentenyl)-, (E)- (ZCI)
1,3-Dioxolane, 4-methyl-2-(1E)-1-pentenyl- (9CI)
4-Methyl-2-(1E)-1-penten-1-yl-1,3-dioxolane (ACI)
1,3-Dioxolane, 4-methyl-2-(1-pentenyl)-, (E)-
94089-21-1
ZBS49DF5S4
(+/-)-trans- and cis-2-Hexenal propylene glycol acetal
trans-2-Hexenal propylene glycol acetal
AKOS015842732
UNII-ZBS49DF5S4
2-HEXENAL PROPYLENE GLYCOL ACETAL, TRANS-
1,3-DIOXOLANE, 4-METHYL-2-(1E)-1-PENTENYL-
W-100212
2-Hexenal propylene glycol acetal
4-Methyl-2-[(1E)-1-pentenyl]-1,3-dioxolane #
DTXSID201019349
Q27295279
(E)-4-Methyl-2-(pent-1-en-1-yl)-1,3-dioxolane
(2E)-2-hexenal propylene glycol acetal
2-Hexenal propylene glycol acetal, (1E)-
4-methyl-2-[(1E)-pent-1-en-1-yl]-1,3-dioxolane
FEMA NO. 4272
4-Methyl-2-(1E)-1-penten-1-yl-1,3-dioxolane
(E)-2-HEXEN-1-AL PROPYLENE GLYCOL ACETAL
SCHEMBL873639
1,3-DIOXOLANE, 4-METHYL-2-(1E)-1-PENTEN-1-YL-
EINECS 302-121-7
DB-215136

MDL Number

MFCD12756298

FAQ

What are the physical and chemical properties of (E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1)?

(E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1) is a colorless liquid with a specific gravity of 0.97 and a molecular weight of 126.16 g/mol. It has a low melting point and is slightly soluble in water but readily soluble in organic solvents. This compound is known for its reactivity, particularly in its ability to undergo addition and conjugate addition reactions.

How is (E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1) typically synthesized?

(E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1) can be synthesized via a Wittig reaction with (E)-pent-1-enylmethylphosphonate and methyl 4-methyl-1,3-dioxolane-2-carboxylate. The reaction yields a high selectivity for the desired (E)-isomer with a good yield, making it a common method in the organic synthesis of this compound.

What industries use (E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1)?

(E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the polymer industry for the preparation of specialty polymers and in the chemical industry for the production of various organic compounds. Additionally, it has applications in the formulation of certain sensors and semiconductors.

What precautions should be taken when handling (E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1)?

When handling (E)-4-Methyl-2-(pent-1-enyl)-1,3-dioxolane (CAS: 94089-21-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a closed container in a cool, well-ventilated area. Spills should be cleaned up using appropriate safety measures, and the safety data sheet (SDS) should be consulted for specific spill procedures. Always work in a fume hood to minimize inhalation risks.