16094-31-8

Basic information

• Product Name: 5-(1,1-dimethylethyl)salicylic acid
• Synonyms: 5-(1,1-dimethylethyl)salicylic acid;5-(1,1-DIMETHYLETHYL)-2-HYDROXY-BENZOIC ACID;2-Hydroxy-5-tert-butylbenzoic acid;5-tert-Butylsalicylic acid
• CAS NO: 16094-31-8
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.22706
• EINECS: 240-258-3
• Mol File: 16094-31-8.mol

Chemical Properties

• Melting Point: 151 °C
• Boiling Point: 324.4°Cat760mmHg
• Flash Point: 164.2°C
• Appearance: /
• Density: 1.162g/cm³
• Vapor Pressure: 0.000101mmHg at 25°C
• Refractive Index: 1.552
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 3.34±0.10(Predicted)
• CAS DataBase Reference: 5-(1,1-dimethylethyl)salicylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(1,1-dimethylethyl)salicylic acid(16094-31-8)
• EPA Substance Registry System: 5-(1,1-dimethylethyl)salicylic acid(16094-31-8)

Safety Data

• Hazardous Substances Data: 16094-31-8(Hazardous Substances Data)

Usage

Uses

Used in Cosmetic Industry:
5-(1,1-dimethylethyl)salicylic acid is used as an active ingredient for its acne-treating properties, as it helps unclog pores and improve skin texture. Its anti-inflammatory and exfoliating effects make it a popular choice in skincare formulations.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, TBSA is utilized for its potential anti-aging and antioxidant effects, contributing to the development of treatments that address skin aging and oxidative stress.
Used in Skincare Formulations:
5-(1,1-dimethylethyl)salicylic acid is used as a key component in various skincare products, such as cleansers, toners, and serums, for its ability to enhance skin clarity and reduce the appearance of blemishes.

InChI:InChI=1/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)

Upstream product

• 56-23-5 tetrachloromethane 
• 98-54-4 para-tert-butylphenol 
• 78-83-1 2-methyl-propan-1-ol 
• 69-72-7 salicylic acid 
• 124-38-9 carbon dioxide 
• 87-19-4 isobutyl salicylate 
• 7637-07-2 boron trifluoride 
• 71-43-2 benzene 
• 2725-53-3 2-hydroxy-5-t-butylbenzaldehyde 
• 2198-66-5 2-bromo-4-tert-butylphenol 
• 1634-04-4 tert-butyl methyl ether 
• 75-65-0 tert-butyl alcohol 
• 52888-72-9 5-(tert-butyl)-2-hydroxybenzoic acid methyl ester 

Downstream Products

• 52888-72-9 5-(tert-butyl)-2-hydroxybenzoic acid methyl ester 
• 187273-01-4 5-tert-butyl-2-hydroxy-benzoic acid ethyl ester 
• 24113-61-9 4-(tert-butyl)phenyl 5-(tert-butyl)-2-hydroxybenzoate 
• 13032-38-7 (+/-)-cis-3-tert-butyl-cyclohexanecarboxylic acid 
• 61658-78-4 5-tert-butyl-2-hydroxy-benzoic acid phenyl ester 
• 100245-51-0 5-tert-Butyl-2-hydroxy-N-(1H-tetrazol-5-yl)-benzamide 
• 870007-41-3 ethyl 5-tert-butyl-2-ethoxybenzoate 
• 1235487-23-6 5-tert-butyl-2-ethoxy-benzoyl chloride 
• 1572249-57-0 tris(5-tert-butyl-3-carboxy-2-hydroxy-benzyl)amine 
• 56069-97-7 5-tert-butyl-3-chloromethyl-salicylic acid 

Relevant articles and documents

PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

The disclosure provides processes for synthesizing compounds for use as CFTR modulators.

General method for the synthesis of salicylic acids from phenols through palladium-catalyzed silanol-directed C-H carboxylation

A silanol-directed, palladium-catalyzed C-H carboxylation reaction of phenols to give salicylic acids has been developed. This method features high efficiency and selectivity, and excellent functional-group tolerance. The generality of this method was demonstrated by the carboxylation of estrone and by the synthesis of an unsymmetrically o,o′-disubstituted phenolic compound through two sequential C-H functionalization processes.

Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities

A new family of C3-symmetric ligands, featuring phenolate donors and a secondary coordination sphere, have been synthesized. We report the synthesis and subsequent coordination chemistry of these new tripodal N-anchored tris(phenolate) chelates, [tris(5-tert-butyl-3-N-carboxamide-2-hydroxybenzyl) amines] (H3RSalAmi), to iron(II), iron(III), and zinc(II). These electron-rich complexes have intramolecular hydrogen bonds, and therefore the potential to stabilize biologically relevant substrates in small-molecule activation chemistry.

THERMOCHROMIC COMPOSITIONS FROM TRISUBSTITUTED PYRIDINE LEUCO DYES

A thermochromic leuco dye composition contains a leuco dye moiety including one or more tri-aryl substituted pyridines, a UVA developer moiety including at least one UVA developer selected from the group consisting of salicylic acid and derivatives thereof, and biphenyls and derivatives thereof, and a carrier selected from the group consisting of a fatty ester, fatty alcohol, fatty amide, and combinations thereof.

The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex

The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in the formation of blood clots. Inhibition of this complex may lead to new antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that incorporation of substitution at the 5-position of the hydroxybenzoic acid side chain could lead to the formation of more potent inhibitors through interactions with the S1′/S2′ pocket.

NF-KB ACTIVATION INHIBITORS

A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is 1○ a fused polycyclic heteroaryl group wherein the ring which binds directly to ―CONH― group in the formula (I) is a benzene ring, 2○ unsubstituted thiazol-2-yl group, or 3○ unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula ―O―A wherein A has the same meaning as that defined above and the group represented by formula -CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula ―O―A wherein A has the same meaning as that defined above and the group represented by formula ― CONH―E wherein E has the same meaning as that defined above.

THERAPEUTIC AGENT FOR CANCER

A medicament for the prevention and/or treatment of cancers and the like which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is 1? a fused polycyclic heteroaryl group wherein the ring which binds directly to ―CONH― group in the formula (I) is a benzene ring, 2? unsubstituted thiazol-2-yl group, or 3? unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula ―O―A wherein A has the same meaning as that defined above and the group represented by formula ―CONH―E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula ―O―A wherein A has the same meaning as that defined above and the group represented by formula ― CONH―E wherein E has the same meaning as that defined above.

REMEDIES FOR NEURODEGENERATIVE DISEASES

A medicament for preventive and/or therapeutic treatment of neurodegenerative diseases such as Alzheimer's disease or the like which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is 1○ a fused polycyclic heteroaryl group wherein the ring which binds directly to -CONH- group in the formula (I) is a benzene ring, 2○ unsubstituted thiazol-2-yl group, or 3○ unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula -O-A wherein A has the same meaning as that defined above and the group represented by formula -CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula -O-A wherein A has the same meaning as that defined above and the group represented by formula -CONH-E wherein E has the same meaning as that defined above.

O-SUBSTITUTED HYDROXYARYL DERIVATIVES

A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in a main chain is 2 to 5 (said connecting group may be substituted), "A" represents an acyl group which may be substituted, (provided that unsubstituted acetyl group and unsubstituted acryloyl group are excluded,) or a C1 to C6 alkyl group which may be substituted, or A may bind to connecting group X to form a cyclic structure which may be substituted, "E" represents an aryl group which may be substituted or a heteroaryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula -O-A wherein A has the same meaning as that defined above and the group represented by formula -X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula -O-A wherein A has the same meaning as that defined above and the group represented by formula -X-E wherein each of X and E has the same meaning as that defined above.