1085-12-7 | N-Heptyl 4-hydroxybenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$25.00	$18.00
5g	98%	in stock	$45.00	$32.00
25g	98%	in stock	$52.00	$37.00
100g	98%	in stock	$111.00	$78.00
500g	98%	in stock	$339.00	$237.00

Description

• Catalog Number: AB74587
• Chemical Name: N-Heptyl 4-hydroxybenzoate
• CAS Number: 1085-12-7
• Molecular Formula: C14H20O3
• Molecular Weight: 236.3068
• MDL Number: MFCD00016481
• SMILES: CCCCCCCOC(=O)c1ccc(cc1)O
• NSC Number: 309818

Computed Properties

• Complexity: 208
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 8
• XLogP3: 4.8

Upstream Synthesis Route

Heptyl 4-hydroxybenzoate, also known as heptyl paraben, is a chemical compound commonly utilized in chemical synthesis as a versatile intermediate for the production of various functional molecules. This compound plays a crucial role in the development of pharmaceuticals, fragrances, and personal care products due to its unique properties and reactivity.In chemical synthesis, heptyl 4-hydroxybenzoate serves as a key building block for the creation of esters, which are important in the formulation of perfumes and cosmetics. Its hydrophobic nature and aromatic ring structure make it an ideal candidate for enhancing the stability and fragrance profile of final products. Additionally, heptyl 4-hydroxybenzoate can be utilized in the synthesis of other derivatives with specialized functionalities, expanding its applications in diverse industries.Furthermore, this compound exhibits antimicrobial properties, making it a valuable ingredient in the production of preservatives for topical formulations such as creams, lotions, and ointments. By incorporating heptyl 4-hydroxybenzoate into formulations, manufacturers can prolong the shelf life of products and ensure microbial safety for consumers.Overall, heptyl 4-hydroxybenzoate plays a crucial role in chemical synthesis by enabling the creation of novel compounds with various applications in pharmaceuticals, fragrances, and personal care products. Its versatility and unique properties make it a valuable asset in the development of innovative and high-quality formulations.

Literature

• Parabens inhibit fatty acid amide hydrolase: A potential role in paraben-enhanced 3T3-L1 adipocyte differentiation.

  Toxicology letters 20161116

• Cytochrome P450-inhibitory activity of parabens and phthalates used in consumer products.

  The Journal of toxicological sciences 20160101

• Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.

  Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20130701

• Mechanisms of membrane transport of poorly soluble drugs: role of micelles in oral absorption processes.

  Journal of pharmaceutical sciences 20100301

• Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

  Journal of molecular graphics & modelling 20061101

• The physical stability of thermally-stressed phospholipid-based emulsions containing methyl, propyl and heptyl parabens as model drugs.

  International journal of pharmaceutics 20031020