CAS 3089-55-2

1-Octyl 6-(phenylmethyl) hexanedioate

Description:

1-Octyl 6-(phenylmethyl) hexanedioate, with the CAS number 3089-55-2, is an organic compound characterized by its ester functional groups. It features a long hydrophobic octyl chain, which contributes to its lipophilicity, making it soluble in organic solvents while being less soluble in water. The presence of the phenylmethyl group introduces aromatic characteristics, potentially enhancing its stability and reactivity in various chemical environments. This compound is likely to exhibit properties typical of esters, such as pleasant odors and low volatility. Its structure suggests potential applications in fields such as plasticizers, surfactants, or as intermediates in organic synthesis. Additionally, the presence of multiple functional groups may allow for further chemical modifications, making it versatile in various chemical reactions. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or environmental impact. Overall, 1-Octyl 6-(phenylmethyl) hexanedioate exemplifies the complexity and utility of ester compounds in chemical applications.

Formula: C₂₁H₃₂O₄

InChI: InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3

InChI key: InChIKey=DECACTMEFWAFRE-UHFFFAOYSA-N

SMILES: C(OC(CCCCC(OCCCCCCCC)=O)=O)C1=CC=CC=C1

Synonyms:

• 1-Octyl 6-(phenylmethyl) hexanedioate
• Adimoll BO
• Adipic acid, benzyl octyl ester
• Benzyl Octyl Hexanedioate
• Hexanedioic acid, 1-octyl 6-(phenylmethyl) ester
• Hexanedioic acid, octyl phenylmethyl ester
• Benzyl octyl adipate

Hexanedioic acid, 1-octyl 6-(phenylmethyl) ester

CAS: 3089-55-2

Formula: C₂₁H₃₂O₄

Purity: 95%

Color and Shape: Liquid

Molecular weight: 348.4764

Ref: IN-DA0031M9

Benzyl octyl adipate

CAS: 3089-55-2

Benzyl octyl adipate

Purity: 95%

Molecular weight: 348.48g/mol

Ref: 54-OR1050606

Benzyl octyl adipate

CAS: 3089-55-2

Formula: C₂₁H₃₂O₄

Purity: 95%

Molecular weight: 348.483

Ref: 10-F213586

Benzyl Octyl Adipate-d17

Controlled Product

CAS: 3089-55-2

Applications Benzyl Octyl Adipate-d17, is the labeled analogue of Benzyl Octyl Adipate (B285580), which is used as plasticizer. It can also be used for the synthesis of orally effective acid prodrugs of the β-Lactamase inhibitor Sulbactam (S699185).
References Sorokin, G. A., Plasticheskie Massy, 25 (1976); Kraus, A., Farbe + Lack,60, 185 (1954); English, A. R., et al.: J. Med. Chem., 33, 344 (1990);

Formula: C₂₁D₁₇H₁₅O₄

Color and Shape: Neat

Molecular weight: 365.581

Ref: TR-B285582

Benzyl Octyl Adipate

Controlled Product

CAS: 3089-55-2

Formula: C₂₁H₃₂O₄

Color and Shape: Neat

Molecular weight: 348.476

Ref: TR-B285580