813-58-1

Basic information

• Product Name: 2,2-DIETHYLBUTYRIC ACID
• Synonyms: 2,2-Diethylbutanoic acid;2,2-DIETHYLBUTYRIC ACID;TRIETHYLACETIC ACID
• CAS NO: 813-58-1
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• Product Categories: Miscellaneous
• Mol File: 813-58-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 39.5 °C
• Boiling Point: 227.7°C at 760 mmHg
• Flash Point: 102.5°C
• Appearance: /
• Density: 0.928g/cm³
• Vapor Pressure: 0.0275mmHg at 25°C
• Refractive Index: 1.436
• PKA: 4.99±0.15(Predicted)
• CAS DataBase Reference: 2,2-DIETHYLBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIETHYLBUTYRIC ACID(813-58-1)
• EPA Substance Registry System: 2,2-DIETHYLBUTYRIC ACID(813-58-1)

Safety Data

• Hazardous Substances Data: 813-58-1(Hazardous Substances Data)

Usage

Physical Appearance

Colorless, oily liquid

Odor

Fruity, pineapple-like

Usage

Commonly used as a flavoring agent in the food and beverage industry

Industrial Applications

Used as an intermediate in the synthesis of pharmaceuticals and agrochemicals

Toxicity

Low toxicity, generally regarded as safe for use in food and beverages

Safety Precautions

Should be handled and used with care to avoid prolonged or repeated exposure, which may cause irritation to the skin, eyes, and respiratory tract.

InChI:InChI=1/C8H16O2/c1-4-8(5-2,6-3)7(9)10/h4-6H2,1-3H3,(H,9,10)

Upstream product

• 34579-77-6 3-Cyan-3-ethylpentan 
• 63801-98-9 2,2-diethyl-butyric acid amide 
• 17535-48-7 4,4-diethyl-hexan-3-one 
• 34666-17-6 ethyl 2,2-diethylbutanoate 
• 74-85-1 ethene 
• 127-08-2 potassium acetate 
• 64-18-6 formic acid 
• 597-49-9 3-ethylpentan-3-ol 
• 88-09-5 2-Ethylbutanoic acid 
• 75-03-6 ethyl iodide 
• 816-11-5 2-ethyl-butyric acid methyl ester 
• 10250-49-4 2,2-diethyl-butyric acid methyl ester 
• 93504-83-7 2-(ethoxycarbonyl)-2-ethylbutanoic acid 
• 617-80-1 2-ethyl-butyronitrile 

Downstream Products

• 26254-89-7 2,2-diethylbutyraldehyde 
• 107-10-8 propylamine 
• 107-87-9 2-Pentanone 
• 66-25-1 hexanal 
• 67-64-1 acetone 
• 1356660-67-7 C₃₁H₅₄N₂O₃ 
• 1356660-69-9 C₃₂H₅₄N₂O₄ 
• 1356660-71-3 C₆₃H₁₀₆N₄O₆ 
• 14305-26-1 2,2-Diaethyl-1-butylbrosylat 
• 21220-90-6 Thioschwefelsaeure-S-<2-(2,2-diaethyl-butylamino)-aethyl>-ester 
• 10332-40-8 acetic acid-(2,2-diethyl-butyl ester) 
• 88131-91-3 threo-α-(4-phenylpiperidin-2(e)-yl)benzyl 2,2-diethylbutanoate 
• 88131-91-3 erythro-α-(4-phenylpiperidin-2(e)-yl)benzyl 2,2-diethylbutanoate 
• 88131-93-5 2(e)-benzoyl-4-phenyl-2,2-diethylbutanopiperidide 

Relevant articles and documents

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Copper-catalyzed site-selective intramolecular amidation of unactivated C(sp3)-H bonds

The intramolecular dehydrogenative amidation of aliphatic amides, directed by a bidentate ligand, was developed using a copper-catalyzed sp3 C-H bond functionalization process. The reaction favors predominantly the C-H bonds of β-methyl groups over the unactivated methylene C-H bonds. Moreover, a preference for activating sp3 C-H bonds of β-methyl groups, via a five-membered ring intermediate, over the aromatic sp2 C-H bonds was also observed in the cyclometalation step. Additionally, sp3 C-H bonds of unactivated secondary sp3 C-H bonds could be functionalized by favoring the ring carbon atoms over the linear carbon atoms. Getting ahead on tams: The intramolecular dehydrogenative amidation of aliphatic amides, directed by a bidentate ligand, was developed using a copper-catalyzed sp 3 C-H bond functionalization process to deliver β-lactams. The reaction favors the C-H bonds of β-methyl groups over the unactivated methylene C-H bonds, as well as aromatic C(sp2)-H bonds and unactivated secondary C(sp3)-H bonds of rings.

DYE COMPOUND, METHOD OF PRODUCING DIPYRROMETHENE METAL COMPLEX COMPOUND, METHOD OF PRODUCING DYE MULTIMER, SUBSTITUTED PYRROLE COMPOUND, COLORED CURABLE COMPOSITION, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR AND LIQUID CRYSTAL DISPLAY DEVICE

The invention provides a dye compound having a partial structure represented by the following formula (5): wherein in formula (5), Dye represents a dye structure; G1 represents NR or an oxygen atom; G2 represents a monovalent substituent group having an -Es' value as a steric parameter of 1.5 or more; p represents an integer from 1 to 8; when p is 2 or greater, the two or more structures represented by p may be the same or different from each other; and R represents a hydrogen atom or a monovalent substituent group.