23039-28-3

Basic information

• Product Name: 3-tert-Butylbenzaldehyde
• Synonyms: 3-tert-butylbenzaldehyde
• CAS NO: 23039-28-3
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.23
• Mol File: 23039-28-3.mol

Chemical Properties

• Boiling Point: 228.022 °C at 760 mmHg
• Flash Point: 91.961 °C
• Appearance: /
• Density: 0.967 g/cm³
• Vapor Pressure: 0.075mmHg at 25°C
• Refractive Index: 1.525
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 3-tert-Butylbenzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3-tert-Butylbenzaldehyde(23039-28-3)
• EPA Substance Registry System: 3-tert-Butylbenzaldehyde(23039-28-3)

Safety Data

• Hazardous Substances Data: 23039-28-3(Hazardous Substances Data)

Usage

Uses

Used in the Food and Beverage Industry:
3-tert-Butylbenzaldehyde is used as a flavoring agent for its almond-like aroma, enhancing the taste and smell of various food and beverage products.
Used in the Perfume and Fragrance Industry:
3-tert-Butylbenzaldehyde is utilized as a key component in the production of perfumes and fragrances, contributing to their unique and pleasant scents.
Used in Organic Synthesis:
3-tert-Butylbenzaldehyde serves as a reagent in various chemical reactions, playing a crucial role in the synthesis of organic compounds.
Used in Chemical Research:
As a potentially hazardous chemical, 3-tert-Butylbenzaldehyde is also employed in chemical research to study its properties and potential applications, while emphasizing the importance of proper safety precautions during handling and storage.

InChI:InChI=1/C11H14O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3

Upstream product

• 507-20-0 tertiary butyl chloride 
• 100-52-7 benzaldehyde 
• 51503-09-4 3-tert-butylbenzyl alcohol 
• 103668-96-8 3-tert-butyl-5,6-dihydrobenzaldehyde 
• 1075-38-3 m-t-butyltoluene 
• 102405-32-3 3-tert-butylbenzyl bromide 
• 103668-90-2 2-oxatricyclo<2.2.2.0^3,5>octan-6-one 
• 98-51-1 4-tert-butyltoluene 
• 103668-93-5 6-tert-butyl-2-oxatricyclo<2.2.2.0^3,5>octan-6-ol 

Downstream Products

• 16678-38-9 3-tert-butyl-benzaldehyde-semicarbazone 
• 121801-71-6 Benzo[b]thiophen-3-yl-(3-tert-butyl-phenyl)-methanol 
• 13935-95-0 2-<3-t-Butylphenyl>indan-1,3-dion 
• 7498-54-6 3-t-Butylbenzoic acid 
• 252735-68-5 2-Hydroxy-3-(morpholin-4-ylmethyl)-5-tert-butylbenzaldehyde 
• 545393-84-8 (2E)-3-[3-(tert-butyl)phenyl]prop-2-enoic acid 
• 252735-70-9 C₄NOH₈CH₂C₆H₂(OH)[C(CH₃)3]CHNC₂H₄NCHC₆H₂(OH)[C(CH₃)3]CH₂C₄NOH₈ 
• 1189364-85-9 C₃₈H₅₆N₄O₄ 
• 121801-84-1 3-[(3-tert-Butyl-phenyl)-chloro-methyl]-benzo[b]thiophene 
• 121801-98-7 1-[Benzo[b]thiophen-3-yl-(3-tert-butyl-phenyl)-methyl]-1H-imidazole 
• 1037222-63-1 C₂₆H₃₆F₂N₂O₃ 

Relevant articles and documents

Propanal Production Methods

A product of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde, wherein m-tert-butylphenyl propionaldehyde is in an amount from 6% to 60% of the combination of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde. Also a method including; adding dropwise an aldehyde solution to a basic solution; and, collecting a fraction of p-tert-butyl cinnamic aldehyde m-tert-butyl cinnamic aldehyde therefrom; and, adding a transition metal catalyst to a solution of the p-tert-butyl cinnamic aldehyde in ethanol, and, collecting therefrom by distillation a product of p-tert-butylphenyl propionaldehyde and the meta isomer m-tert-butylphenyl propionaldehyde; wherein the product comprises m-tert-butylphenyl propionaldehyde in an amount from 6% to 60% of the combination of p-tert-butylphenyl propionaldehyde and m-tert-butylphenyl propionaldehyde.

Discovery of potent, orally available vanilloid receptor-1 antagonists. Structure-activity relationship of N-aryl cinnamides

The vanilloid receptor-1 (TRPV1 or VR1) is a member of the transient receptor potential (TRP) family of ion channels and plays a role in regulating the function of sensory nerves. A growing body of evidence demonstrates the therapeutic potential of TRPV1 modulators, particularly in the management of pain. As a result of our screening efforts, we identified (E)-3-(4-tert- butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide (1), an antagonist that blocks the capsaicin-induced and pH-induced uptake of 45Ca2+ in TRPV1-expressing Chinese hamster ovary cells with IC50 values of 17 ± 5 and 150 ± 80 nM, respectively. In this report, we describe the synthesis and structure-activity relationship of a series of N-aryl cinnamides, the most potent of which (49a and 49b) exhibit good oral bioavailability in rats (Foral = 39% and 17%, respectively).

Vanilloid receptor ligands and their use in treatments

Compounds having the general structure and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritis, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

New imidazole anti-fungal agents derived from benzothiophene. Part II

1-thienyl)methyl>-1H-imidazoles 22, 1-thien-3-yl)(thienyl)methyl>-1H-imidazoles 25 and 1-thien-3-yl)methyl>-1H-imidazoles 28 have been synthesized and tested for anti-fungal activity.All compounds showed good activity against a broad spectrum of fungi (yeasts, dermatophytes).

New Methods of Formation of Meta-Substituted Aromatic Compounds

The addition of organolithium reagents to the oxa tricyclic ketone 1 occurs stereospecifically to produce the corresponding tertiary carbinols 2a-d.When the alcohols 2a-d are treated with TiCl4, ring fragmentation and dehydration occur to produce good yields of 5,6-dihydrobenzaldehydes 3a-d.Oxidation of aldehydes 3a-d then leads to the corresponding meta-substituted benzaldehydes 4a-d.Alternatively, use of the Lewis acid Me2BBr did not stop at the dihydrobenzaldehyde stage.Tautomerization of the diene aldehydes 3a-d produced meta-substituted benzyl alcohols 7a-d or benzyl bromides 8a-d under prolonged reaction times.The addition of silica gel to the reactions accelerated the formation of the benzyl bromides.