CAS 2733-91-7: Methyl vernolate

Description: Methyl vernolate, with the CAS number 2733-91-7, is an ester derived from vernolic acid and methanol. It is characterized by its pleasant, fruity aroma, which makes it useful in the flavor and fragrance industries. The compound is typically a colorless to pale yellow liquid and is known for its low volatility and moderate solubility in water, while being more soluble in organic solvents. Methyl vernolate is often utilized in the synthesis of various chemical compounds and may also serve as a potential intermediate in organic reactions. Its chemical structure features a methyl group attached to the vernolate moiety, contributing to its reactivity and functional properties. Additionally, it is important to handle methyl vernolate with care, as with many organic compounds, due to potential health and environmental impacts. Overall, methyl vernolate is a versatile compound with applications in both industrial and research settings.

Formula: C₁₉H₃₄O₃

InChI: InChI=1S/C19H34O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3/b12-9-/t17-,18+/m1/s1

InChI key: InChIKey=JTSVQVYMBXVLFI-UKBCLVJRSA-N

SMILES: O=C(OC)CCCCCCCC=CCC1OC1CCCCC

Synonyms:

• 9-Undecenoic acid, 11-(3-pentyloxiranyl)-, methyl ester, [2S-[2α(Z),3α]]-
• 9-Undecenoic acid, 11-[(2S,3R)-3-pentyl-2-oxiranyl]-, methyl ester, (9Z)-
• 9-Undecenoic acid, 11-[(2S,3R)-3-pentyloxiranyl]-, methyl ester, (9Z)-
• Methyl vernolate
• Oleic acid, 12,13-epoxy-, methyl ester, (12S,13R)-(+)-
• methyl (Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoate

Methyl (±)-cis-12,13-Epoxy-9(Z)-octadecenoate

CAS: 2733-91-7

• Formula: C19H34O3
• Purity: >98%
• Color and Shape: In solution, Acetonitrile
• Molecular weight: 310.47

Methyl 12(S),13(R)-Epoxy-9(Z)-octadecenoate

CAS: 2733-91-7

• Formula: C19H34O3
• Purity: >98%
• Color and Shape: Liquid
• Molecular weight: 310.47