CAS 1085-12-7

n-Heptyl 4-hydroxybenzoate

Description:

n-Heptyl 4-hydroxybenzoate, also known as heptyl paraben, is an ester formed from the reaction of heptyl alcohol and p-hydroxybenzoic acid. It is commonly used as a preservative in cosmetics and personal care products due to its antimicrobial properties. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature. It is soluble in organic solvents and exhibits limited solubility in water. n-Heptyl 4-hydroxybenzoate is known for its stability under various pH conditions, making it effective in a range of formulations. Its molecular structure includes a long hydrophobic heptyl chain, which contributes to its ability to penetrate biological membranes, while the hydroxybenzoate moiety provides the preservative action. Although generally considered safe for use in cosmetics, there are ongoing discussions regarding the potential endocrine-disrupting effects of parabens, leading to increased scrutiny and regulation in some regions. Overall, n-heptyl 4-hydroxybenzoate serves as a functional ingredient in various applications, balancing efficacy and safety.

Formula: C₁₄H₂₀O₃

InChI: InChI=1/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

InChI key: InChIKey=ZTJORNVITHUQJA-UHFFFAOYSA-N

SMILES: CCCCCCCOC(=O)c1ccc(cc1)O

Synonyms:

• Benzoic acid, 4-hydroxy-, heptyl ester
• Benzoic acid, P-hydroxy-, heptyl ester
• Brn 2726540
• Heptyl 4-hydroxybenzoate
• Heptyl alcohol, p-hydroxybenzoate
• Heptyl p-hydroxybenzoate
• Heptyl paraben
• Heptylparaben
• Nipaheptyl
• Nsc 309818
• Staypro WS 7
• n-Heptyl p-hydroxybenzoate
• p-Hydroxybenzoic acid heptyl ester
• p-Oxybenzoesaureheptylester
• p-Oxybenzoesaureheptylester [German]

n-Heptyl 4-hydroxybenzoate, 98%

CAS: 1085-12-7

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₄H₂₀O₃

Purity: 98%

Color and Shape: White to cream to pale yellow, Powder or fused solid

Molecular weight: 236.31

Ref: 02-A13555

Heptyl 4-hydroxybenzoate

CAS: 1085-12-7

Formula: C₁₄H₂₀O₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 236.3068

Ref: IN-DA003QV7

Heptyl Parahydroxybenzoate

CAS: 1085-12-7

Formula: C₁₄H₂₀O₃

Color and Shape: White To Off-White Solid

Molecular weight: 236.31

Ref: 4Z-P-112005

4-Hydroxybenzoic acid-n-heptyl ester

Controlled Product

CAS: 1085-12-7

Formula: C₁₄H₂₀O₃

Color and Shape: Neat

Molecular weight: 236.31

Ref: 04-C14228820

Heptyl 4-Hydroxybenzoate

CAS: 1085-12-7

Formula: C₁₄H₂₀O₃

Purity: >98.0%(T)(HPLC)

Color and Shape: White powder to crystal

Molecular weight: 236.31

Ref: 3B-H0212

n-Heptyl 4-Hydroxybenzoate

CAS: 1085-12-7

Applications n-Heptyl 4-Hydroxybenzoate is used as a reagent in the synthesis of sulfonylbenzoic acid esters as potential inhibitors of oestrone sulphatase with antitumor activities.
References Owen, C., et al.: J. Pharm. Pharmacol., 55, 85 (2002)

Formula: C₁₄H₂₀O₃

Color and Shape: Neat

Molecular weight: 236.31

Ref: TR-H283180

n-Heptyl 4-hydroxybenzoate

CAS: 1085-12-7

n-Heptyl 4-hydroxybenzoate is a preservative and antimicrobial agent that is used in cosmetics, pharmaceuticals, and food. It is primarily used to inhibit the growth of bacteria and fungi. The mechanism by which heptyl 4-hydroxybenzoate inhibits the growth of microorganisms is not well understood. It has been shown to be an effective inhibitor of Gram-positive bacteria such as Bacillus subtilis, but not against Gram-negative bacteria such as Escherichia coli. Heptyl 4-hydroxybenzoate has been shown to have no effect on the growth of probiotic bacteria such as Lactobacillus acidophilus.
The chemical structure of n-heptyl 4-hydroxybenzoate includes a glycol ether moiety and two parabens that are linked by hydrogen bonds. These bonds can be broken by enzymes found in rat liver microsomes, leading to the release of n-

Formula: C₁₄H₂₀O₃

Purity: Min. 95%

Color and Shape: White Off-White Powder

Molecular weight: 236.31 g/mol

Ref: 3D-FH64886

n-Heptyl 4-hydroxybenzoate

CAS: 1085-12-7

Formula: C₁₄H₂₀O₃

Purity: 97%

Color and Shape: Solid

Molecular weight: 236.311

Ref: 10-F144300