CAS 776297-69-9

1-(3-Methylbutyl) 2-pentyl 1,2-benzenedicarboxylate

Description:

1-(3-Methylbutyl) 2-pentyl 1,2-benzenedicarboxylate, with the CAS number 776297-69-9, is an organic compound that belongs to the class of benzenedicarboxylates. This substance features a complex structure characterized by a benzene ring substituted with two carboxylate groups and alkyl side chains, specifically a 3-methylbutyl group and a pentyl group. The presence of these alkyl groups contributes to its hydrophobic nature, making it less soluble in water but more soluble in organic solvents. The compound is likely to exhibit properties typical of esters, such as pleasant odors and potential applications in flavoring or fragrance industries. Additionally, due to its structural characteristics, it may possess specific physical properties like a moderate boiling point and viscosity. Its potential uses could extend to plasticizers or additives in various formulations, although detailed studies on its toxicity and environmental impact would be necessary to fully understand its safety profile. Overall, this compound exemplifies the diversity of organic chemistry and the functionalization of aromatic systems.

Formula: C₁₈H₂₆O₄

InChI: InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3

InChI key: InChIKey=MCXWUHMDAJQKBI-UHFFFAOYSA-N

SMILES: C(OCCC(C)C)(=O)C1=C(C(OCCCCC)=O)C=CC=C1

Synonyms:

• 1,2-Benzenedicarboxylic acid, 1-(3-methylbutyl) 2-pentyl ester
• 1,2-Benzenedicarboxylic acid, 3-methylbutyl pentyl ester
• 1-(3-Methylbutyl) 2-pentyl 1,2-benzenedicarboxylate
• 3-Methylbutyl pentyl phthalate

Isopentyl pentyl phthalate

Controlled Product

CAS: 776297-69-9

Isopentyl pentyl phthalate

Formula: C₁₈H₂₆O₄

Purity: 97%

Color and Shape: Liquid

Molecular weight: 306.4

Ref: 54-OR76672

Phthalic acid, n-pentyl-isopentyl ester

Controlled Product

CAS: 776297-69-9

Formula: C₁₈H₂₆O₄

Color and Shape: Neat

Molecular weight: 306.4

Ref: 04-C16179120

Isopentyl pentyl phthalate

Controlled Product

CAS: 776297-69-9

Formula: C₁₈H₂₆O₄

Purity: 98%

Color and Shape: Liquid

Molecular weight: 306.3966

Ref: IN-DA0039XZ

Isopentyl Pentyl Phthalate

Controlled Product

CAS: 776297-69-9

Applications One of the several phthalate esters which showed clear fetotoxicity, embryolethality and teratogenicity.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package

Formula: C₁₈H₂₆O₄

Color and Shape: Neat

Molecular weight: 306.4

Ref: TR-I821930

n-Pentyl iso-pentyl phthalate in Cyclohexane

Controlled Product

CAS: 776297-69-9

Cyclohexane

Formula: C₁₈H₂₆O₄

Molecular weight: 306.4

Ref: BE-BePure-25046YC-1000