CAS 6415-59-4

3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone

Description:

3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone, with CAS number 6415-59-4, is a chemical compound characterized by its unique bicyclic structure, which includes a furanone ring fused to a cyclohexane-like system. This compound typically exhibits a moderate to low polarity due to the presence of both hydrophobic alkyl groups and a cyclic ether functionality. It is likely to be a colorless to pale yellow liquid at room temperature, with a characteristic odor. The presence of the butyl group contributes to its hydrophobic nature, influencing its solubility in organic solvents while rendering it less soluble in water. The compound may participate in various chemical reactions, including nucleophilic substitutions and cycloadditions, due to the reactivity of the furanone moiety. Its potential applications could span across fields such as organic synthesis, fragrance formulation, or as an intermediate in the production of other chemical entities. However, specific safety and handling guidelines should be followed, as with any chemical substance.

Formula: C₁₂H₁₈O₂

InChI: InChI=1/C22H16ClN3OS2/c1-13-6-2-3-7-15(13)20(27)26-22(28)25-18-12-14(10-11-16(18)23)21-24-17-8-4-5-9-19(17)29-21/h2-12H,1H3,(H2,25,26,27,28)

InChI key: InChIKey=UPJFTVFLSIQQAV-UHFFFAOYSA-N

SMILES: C(CCC)C1C2C(C(=O)O1)=CCCC2

Synonyms:

• 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-
• 3-(2-methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one
• 3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
• Ccris 7108
• N-{[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl}-2-methylbenzamide
• 3-Butyl-3a,4,5,6-tetrahydrophthalide
• Sedanolide
• Phthalide, 3-butyl-3a,4,5,6-tetrahydro-
• 3-Butyl-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-one
• 1(3H)-ISOBENZOFURANONE
• SEDANOLIDE FROM CELERY SEEDS OIL
• 3-BUTYL-3ALPHA,4,5,6-TETRAHYDRO-1(3H)-ISOBENZOFURANONE
• cis-Sedanolide
• (3S)-3β-Butyl-1,3,3aβ,4,5,6-hexahydroisobenzofuran-1-one
• trans-Sedanolide
• neocnidilide
• 3-BUTYL-3A,4,5,6-TETRAHYDRO-1(3H)-ISOBENZOFURANON
• (3S)-3aβ,4,5,6-Tetrahydro-3β-butylisobenzofuran-1(3H)-one

SEDANOLIDE

CAS: 6415-59-4

Formula: C₁₂H₁₈O₂

Purity: 98%

Molecular weight: 194.2701

Ref: IN-DA01DQ1T

Sedanolide

CAS: 6415-59-4

Sedanolide

Purity: ≥95%

Molecular weight: 194.27g/mol

Ref: 54-BUP08853

Neocindilide

CAS: 6415-59-4

Formula: C₁₂H₁₈O₂

Molecular weight: 194.27

Ref: 7W-GY6512

Neocindilide

CAS: 6415-59-4

Formula: C₁₂H₁₈O₂

Purity: 95%~99%

Molecular weight: 194.274

Ref: BP-BP1782

Sedanolide

CAS: 6415-59-4

Sedanolide is a natural phthalide first isolated from seed oil of the Umbelliferae family, including celery.

Formula: C₁₂H₁₈O₂

Purity: ≥95% - ≥98%

Color and Shape: Solid

Molecular weight: 194.27

Ref: TM-T5763

Sedanolide

Controlled Product

CAS: 6415-59-4

Formula: C₁₂H₁₈O₂

Color and Shape: Neat

Molecular weight: 194.27

Ref: TR-S241500

Sedanolide

CAS: 6415-59-4

Sedanolide is a bicyclic lactone that is primarily derived from the plant species Apium graveolens, commonly known as celery. This compound is naturally occurring and belongs to the group of phthalides, which are secondary metabolites known for their distinctive aromatic profiles and biological activities. Sedanolide exerts its mode of action through modulation of cellular pathways associated with inflammatory processes and signal transduction, although its exact molecular mechanisms remain an area of active research.

Formula: C₁₂H₁₈O₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 194.27 g/mol

Ref: 3D-FS41667