CAS 591-87-7

Allyl acetate

Description:

Allyl acetate, with the CAS number 591-87-7, is an organic compound classified as an ester. It is formed from the reaction of allyl alcohol and acetic acid. This colorless liquid is known for its characteristic fruity odor, reminiscent of pears or apples, making it a popular choice in the flavor and fragrance industries. Allyl acetate has a relatively low boiling point and is soluble in organic solvents, but it has limited solubility in water. Its chemical formula is C5H8O2, and it features a double bond in the allyl group, which contributes to its reactivity. Allyl acetate is used not only in the production of various flavors and fragrances but also in the synthesis of other chemical compounds. It is important to handle this substance with care, as it can be irritating to the skin and eyes, and inhalation of its vapors may cause respiratory discomfort. Proper safety measures should be observed when working with allyl acetate in laboratory or industrial settings.

Formula: C₅H₈O₂

InChI: InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3

InChI key: InChIKey=FWZUNOYOVVKUNF-UHFFFAOYSA-N

SMILES: O(C(C)=O)CC=C

Synonyms:

• 2-Propen-1-ol acetate
• 3-Acetoxy-1-propene
• 3-Acetoxypropene
• Acetate D'Allyle
• Acetate, Allyl
• Acetato De Alilo
• Acetic acid, 2-propen-1-yl ester
• Acetic acid, 2-propenyl ester
• Acetic acid, allyl ester
• Ally Acetate
• Allyl alcohol, acetate
• Allylacetat
• Essigsaeure-Allylester
• Nsc 7612

Allyl Acetate

CAS: 591-87-7

Formula: C₅H₈O₂

Purity: >97.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 100.12

Ref: 3B-A0020

Allyl acetate, 97%

CAS: 591-87-7

Ally acetate is used in industrial intermediate. Used in synthesis of colophony and bond. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product /

Formula: C₅H₈O₂

Purity: 97%

Color and Shape: Clear colorless to pale yellow, Liquid

Molecular weight: 100.12

Ref: 02-041353

Allyl acetate

CAS: 591-87-7

Allyl acetate

Molecular weight: 100.11582g/mol

Ref: 54-OR1021958

Allyl acetate

CAS: 591-87-7

Formula: C₅H₈O₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 100.12

Ref: 3H-ENEA0015

Allyl Acetate-d5

Controlled Product

CAS: 591-87-7

Formula: C₅H₃D₅O₂

Color and Shape: Neat

Molecular weight: 105.15

Ref: TR-A549017

Allyl acetate

CAS: 591-87-7

Formula: C₅H₈O₂

Color and Shape: Liquid

Molecular weight: 100.117

Ref: 10-F099570

Allyl Acetate

Controlled Product

CAS: 591-87-7

Applications Allyl Acetate is an intermediate in synthesizing Cabergoline-d5 (C050002), a labelled dopamine D2-receptor agonist.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Brambilla, E., et al.: Eur. J. Med. Chem., 24, 421 (1989); Ferrari, C., et al.: J. Clin. Endocrinol. Metab., 68, 1201 (1989); Hutton, J.T., et al.: Neurology, 46, 1062 (1996)

Formula: C₅H₈O₂

Color and Shape: Neat

Molecular weight: 100.12

Ref: TR-A549015