51-38-7

Basic information

• Product Name: butyl 4-hydroxy-3,5-diiodobenzoate
• Synonyms: butyl 4-hydroxy-3,5-diiodobenzoate;Diobene;4-Hydroxy-3,5-diiodobenzoic acid butyl ester;AKPGOBAFPMFHET-UHFFFAOYSA-N
• CAS NO: 51-38-7
• Molecular Formula: C₁₁H₁₂I₂O₃
• Molecular Weight: 446.02012
• EINECS: 200-094-5
• Mol File: 51-38-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 371°Cat760mmHg
• Flash Point: 178.2°C
• Appearance: /
• Density: 2.032g/cm³
• Vapor Pressure: 4.98E-06mmHg at 25°C
• Refractive Index: 1.645
• CAS DataBase Reference: butyl 4-hydroxy-3,5-diiodobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: butyl 4-hydroxy-3,5-diiodobenzoate(51-38-7)
• EPA Substance Registry System: butyl 4-hydroxy-3,5-diiodobenzoate(51-38-7)

Safety Data

• Hazardous Substances Data: 51-38-7(Hazardous Substances Data)

Usage

General Description

Butyl 4-hydroxy-3,5-diiodobenzoate is a chemical compound with the molecular formula C11H12I2O3. It is an ester formed by the condensation of butanol and 4-hydroxy-3,5-diiodobenzoic acid. butyl 4-hydroxy-3,5-diiodobenzoate is often used as a UV absorber and as a component in sunscreen formulations due to its ability to absorb ultraviolet radiation and prevent skin damage. It is also used in the production of various personal care products, such as lotions, moisturizers, and sunscreens. However, care should be taken when handling this compound as it can be irritating to the skin, eyes, and respiratory system and should only be used in well-ventilated areas with appropriate protective equipment.

InChI:InChI=1/C11H12I2O3/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,14H,2-4H2,1H3

Upstream product

• 94-26-8 4-hydroxybenzoic acid, butyl ester 
• 618-76-8 3,5-diiodo-4-hydroxybenzoic acid 
• 71-36-3 butan-1-ol 

Relevant articles and documents

Disconnecting the Estrogen Receptor Binding Properties and Antimicrobial Properties of Parabens through 3,5-Substitution

Commercially utilized parabens are employed for their antimicrobial properties, but a weak binding to the estrogen receptor alpha (ERα) may lead to breast cancer in some applications. Modification of the paraben scaffold should allow for a disconnection of these observed properties. Toward this goal, various 3,5-substituted parabens were synthesized and assessed for antimicrobial properties against S. aureus as well as competitive binding to the ERα. The minimum inhibitory concentration assay confirmed retention of antimicrobial activity in many of these derivatives, while all compounds exhibited decreased xenoestrogen activity as determined by a combination of competitive enzyme linked immunosorbent assay (ELISA), proliferation, and estrogen receptor binding assay. Thus, these changes to the paraben scaffold have led to a multitude of paraben derivatives with antimicrobial properties up to 16 times more active than the parent paraben and that are devoid or significantly diminished of potential breast cancer causing properties.