CAS 1689-09-4

3,3-Dimethylphthalide

Description:

3,3-Dimethylphthalide, with the CAS number 1689-09-4, is an organic compound belonging to the class of phthalides, which are characterized by a lactone structure derived from phthalic acid. This compound features two methyl groups attached to the 3-position of the phthalide ring, influencing its physical and chemical properties. Typically, 3,3-Dimethylphthalide is a colorless to pale yellow liquid with a pleasant, floral aroma, making it of interest in the fragrance industry. It is moderately soluble in organic solvents and exhibits low solubility in water. The compound is stable under normal conditions but may undergo reactions typical of aromatic compounds, such as electrophilic substitution. Its molecular structure contributes to its potential applications in various fields, including perfumery and as a flavoring agent. Safety data indicates that, like many organic compounds, it should be handled with care, as it may cause irritation upon contact with skin or eyes. Proper storage and handling practices are essential to ensure safety and maintain its integrity.

Formula: C₁₀H₁₀O₂

InChI: InChI=1S/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3

InChI key: InChIKey=YFBZUWUJSCLVST-UHFFFAOYSA-N

SMILES: CC1(C)C=2C(C(=O)O1)=CC=CC2

Synonyms:

• 1(3H)-Isobenzofuranone, 3,3-dimethyl-
• 3,3-Dimethyl-1(3H)-isobenzofuranone
• 3,3-Dimethyl-1,3-dihydro-2-benzofuran-1-one
• 3,3-Dimethyl-2-benzofuran-1-one
• 3,3-Dimethylphthalide
• NSC 5114
• Phthalide, 3,3-dimethyl-

1(3H)-Isobenzofuranone, 3,3-dimethyl-

CAS: 1689-09-4

Formula: C₁₀H₁₀O₂

Color and Shape: Solid

Molecular weight: 162.1852

Ref: IN-DA001YD7

3,3-Dimethyl-2-benzofuran-1(3H)-one

CAS: 1689-09-4

3,3-Dimethyl-2-benzofuran-1(3H)-one

Purity: 95%

Molecular weight: 162.19g/mol

Ref: 54-OR1003370

3,3-Dimethyl-2-benzofuran-1(3H)-one

CAS: 1689-09-4

3,3-Dimethyl-2-benzofuran-1(3H)-one is a benzene derivative with a nitro group. It is an organic compound with the formula C8H8NO2 and can be considered as an aromatic nitro compound. The molecule contains a benzene ring with two methyl substituents at the 3 and 3' positions. The nitro group is located at the 1 position on the benzene ring and it has an electron withdrawing effect on this ring. This molecule also has three nitro groups which are located at the 1, 2, and 4 positions on the benzene ring. These groups have electron donating effects to this ring. The uptake of 3,3-dimethyl-2-benzofuran-1(3H)-one by alkali metal ions has been observed to be catalysed by chloride ions due to its electrophilic nature. The chloride ion is able to stabilize a negative charge that forms on

Formula: C₁₀H₁₀O₂

Purity: Min. 95%

Molecular weight: 162.19 g/mol

Ref: 3D-BAA68909