70136-02-6

Basic information

• Product Name: NICOTINIC ACID N-OCTYL ESTER
• Synonyms: NICOTINIC ACID N-OCTYL ESTER;N-OCTYL NICOTINATE;Ai3-17336;n-Octyl Nicotinate
• CAS NO: 70136-02-6
• Molecular Formula: C14H21NO2
• Molecular Weight: 235.32
• Mol File: 70136-02-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 176°C 12mm
• Flash Point: 148°C
• Appearance: /
• Density: 0,99 g/cm3
• Vapor Pressure: 0.000304mmHg at 25°C
• Refractive Index: 1.4860-1.4900
• Water Solubility: 10mg/L(32 oC)
• CAS DataBase Reference: NICOTINIC ACID N-OCTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: NICOTINIC ACID N-OCTYL ESTER(70136-02-6)
• EPA Substance Registry System: NICOTINIC ACID N-OCTYL ESTER(70136-02-6)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 70136-02-6(Hazardous Substances Data)

Usage

General Description

Nicotinic acid N-octyl ester, also known as octyl nicotinate, is an ester derived from nicotinic acid, which is a form of vitamin B3. It is commonly used in cosmetics and skincare products for its ability to improve circulation and provide a warming sensation to the skin. Octyl nicotinate works by dilating blood vessels near the skin's surface, increasing blood flow and potentially enhancing the absorption of other skincare ingredients. It is often included in products designed to improve the appearance of cellulite, as well as in lip plumping treatments due to its vasodilating properties. However, it can also cause skin irritation in some individuals and should be used with caution, especially at higher concentrations. Overall, octyl nicotinate is a widely used ingredient in the cosmetic industry for its potential skin benefits and warming effects.

InChI:InChI=1/C14H21NO2/c1-2-3-4-5-6-7-11-17-14(16)13-9-8-10-15-12-13/h8-10,12H,2-7,11H2,1H3

Upstream product

• 59-67-6 nicotinic acid 
• 111-87-5 octanol 
• 114-33-0 N-Methylnicotinamide 
• 100-54-9 pyridine-3-carbonitrile 
• 100-26-5 Pyridine-2,5-dicarboxylic acid 
• 111-83-1 1-bromo-octane 
• 16518-17-5 potassium nicotinate 
• 614-18-6 3-pyridinecarboxylic acid ethyl ester 
• 20260-53-1 pyridine-3-carbonyl chloride hydrochloride 

Relevant articles and documents

Esterification of Tertiary Amides by Alcohols Through C?N Bond Cleavage over CeO2

CeO2 has been found to promote ester forming alcoholysis reactions of tertiary amides. The present catalytic system is operationally simple, recyclable, and it does not require additives. The esterification process displays a wide substrate scope (>45 examples; up to 93 % isolated yield). Results of a density functional theory (DFT) study combined with in situ FT-IR observations indicate that the process proceeds through rate limiting addition of a CeO2 lattice oxygen to the carbonyl group of the adsorbed acetamide species with energy barrier of 17.0 kcal/mol. This value matches well with experimental value (17.9 kcal/mol) obtained from analysis of the Arrhenius plot. Further studies by in situ FT-IR and temperature programmed desorption using probe molecules demonstrate that both acidic and basic properties are important, and consequently, CeO2 showed the best performance for the C?N bond cleavage reaction.

CeO2-catalysed one-pot selective synthesis of esters from nitriles and alcohols

Thirteen kinds of metal oxides were tested for one-pot selective synthesis of esters from nitriles and alcohols. Ceria (CeO2) showed more than two orders of magnitude higher activity than the other oxides. CeO2 acted as a reusable and effective catalyst for the ester synthesis from various nitriles and alcohols under neutral and solvent-free conditions at 160 °C. This method provides a rare example for the synthesis of heteroaromatic esters, which have been difficult to synthesize by conventional catalytic esterification methods. Valuable esters such as picolinic acid alkyl esters and niacin benzyl esters were synthesized, demonstrating a practical aspect of the present method. Kinetic studies suggested the following reaction mechanism: (1) H2O and ROH dissociate on CeO2, (2) nucleophilic attack of hydroxyl species (OHδ-) to the adsorbed nitrile on CeO2, leading to the formation of the primary amide, (3) nucleophilic attack of alkoxide species (ORδ-) to the amide as the rate-limiting step.

Mucor miehei lipase catalyzed transesterifications on aromatic and heteroaromatic substrates. A general survey

An investigation on Mucor miehei lipase-catalyzed transesterifications of 16 aromatic and heteroaromatic esters in organic solvents is described. The points studied were the activity and regioselectivity of the enzyme-catalyzed reaction of either one or two ester groups situated in different positions on several heterocyclic systems with an aliphatic alcohol. The reactions took place in moderate to good yields and, in some cases, regioselectively.