123-95-5

Basic information

• Product Name: n-Butyl stearate
• Synonyms: Stearicacid, butyl ester (6CI,8CI);Apex 4;Butyl octadecanoate;Crodamol BS;Emerest 2325;Emerest 2326;Exceparl BS;Groco 5810;Kemester5510;Kessco BS-COS;Kessco BSC;Kesscoflex BS;NJLUB BS;NSC4820;Nikkol BS;Polycizer 332;Starfol BS 100;Tegester Butyl Stearate;Uniflex BYS-Code C;Wickenol 122;Witcizer 200;Witcizer 201;n-Butyl octadecanoate;n-Butyl stearate;SINOCHEM BST;Butyl Stearate
• CAS NO: 123-95-5
• Molecular Formula: C₂₂H₄₄O₂
• Molecular Weight: 340.58356
• EINECS: 204-666-5
• Mol File: 123-95-5.mol
• Article Data: 22

Chemical Properties

• Melting Point: 18-23℃
• Boiling Point: 388.9 °C at 760 mmHg
• Flash Point: 193.5 °C
• Appearance: low melting solid or liquid
• Density: 0.861 g/cm³
• CAS DataBase Reference: n-Butyl stearate(CAS DataBase Reference)
• NIST Chemistry Reference: n-Butyl stearate(123-95-5)
• EPA Substance Registry System: n-Butyl stearate(123-95-5)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S36:
• Hazardous Substances Data: 123-95-5(Hazardous Substances Data)

Usage

General Description

N-Butyl stearate is an organic compound classified as a fatty acid ester. It is formed from the condensation of butanol and stearic acid, and is commonly used as a plasticizer and solvent in various industrial applications. It is a colorless, odorless liquid with a low volatility and high boiling point, making it suitable for use in coatings, adhesives, and cosmetics. N-Butyl stearate is also used as a lubricant and as a component in the production of synthetic esters. It is considered to have low toxicity and is generally regarded as safe for use in consumer products. However, prolonged and excessive exposure to n-butyl stearate can lead to irritation of the skin, eyes, and respiratory system.

InChI:InChI=1/C22H44O2.C17H34O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h3-21H2,1-2H3;16H,4-15H2,1-3H3

Synthetic route

Methyl stearate (112-61-8) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Conditions	Yield
With C12H25InN2O2S2 for 19h; Reagent/catalyst; Reflux;	100%
With C13H27BiN2O2S2 for 19h; Reagent/catalyst; Reflux;	100%
With Zn4(OCOCF3)6O In di-isopropyl ether for 24h; Heating;	92%

stearic acid (57-11-4) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Conditions	Yield
With nano sulfated-TiO2 In neat (no solvent) at 80℃; under 760.051 Torr; for 1.5h;	98%
With alumina sulfuric acid at 110℃; for 1.5h;	95%
With 3H(1+)*O40SiW12(4-)*C21H22O3PS(1+) Reflux; Dean-Stark;	90.8%

Stearoyl chloride (112-76-5) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Conditions	Yield
With triethylamine In dichloromethane at 0 - 4℃; for 2h;	0.85%

1-iodo-butane (542-69-8) + silver(1+) stearate (3507-99-1) → n-butyl stearate (123-95-5)

Conditions	Yield
at 100℃;

benzyl stearate (5531-65-7) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Conditions	Yield
In hexane at 39℃; for 24h; lipase from Pseudomonas fluorescens;	98.8 % Spectr.

sodium butanolate (2372-45-4) + olive oil → n-butyl stearate (123-95-5)

Conditions	Yield
With benzene

propyl stearate (3634-92-2) → n-butyl stearate (123-95-5)

Conditions	Yield
Multi-step reaction with 2 steps 1: 86 percent / silica chloride / 10 h / Heating 2: 89 percent / silica chloride / 11 h / Heating View Scheme

stearic acid (57-11-4) + nickel-copper-hydroxide → n-butyl stearate (123-95-5)

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / Amberlyst 15 / Heating 2: 98.8 percent Spectr. / hexane / 24 h / 39 °C / lipase from Pseudomonas fluorescens View Scheme

tetrabutoxytitanium + stearic acid (57-11-4) → n-butyl stearate (123-95-5) + titanium(IV) stearate (5143-87-3, 14536-11-9, 22602-12-6) + butan-1-ol (71-36-3)

Conditions	Yield
With water; magnesium stearate at 100℃;

4-nitrophenyl stearate (14617-86-8) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Conditions	Yield
With induced mycelium-bound lipase from Aspergillus niger MYA 135 In hexane; acetone at 37℃; for 1h; Reagent/catalyst; Enzymatic reaction;

methanol (67-56-1) + n-butyl stearate (123-95-5) → Methyl stearate (112-61-8)

Conditions	Yield
iodine for 20h; Heating;	82%

Dibutyl carbonate (542-52-9) + n-butyl stearate (123-95-5) + potassium n-butoxide (3999-70-0) → hexadecyl-malonic acid dibutyl ester (854843-07-5)

Conditions	Yield
unter Abdestillieren des Butylalkohols bei 40-50 mm Druck;

Dibutyl carbonate (542-52-9) + n-butyl stearate (123-95-5) → hexadecyl-malonic acid dibutyl ester (854843-07-5)

Conditions	Yield
/BRN= 1803623/;
/BRN= 1803623/;

n-butyl stearate (123-95-5) + nickel → 1-octadecanol (112-92-5)

Conditions	Yield
at 250℃; under 110326 Torr; Hydrogenation;

aluminium trichloride (7446-70-0) + n-butyl stearate (123-95-5) + benzene (71-43-2) → sec-Butylbenzene (135-98-8, 36383-15-0)

Conditions	Yield
at 75℃;

n-butyl stearate (123-95-5) → isopropyl stearate (112-10-7)

Conditions	Yield
Multi-step reaction with 2 steps 1: 82 percent / iodine / 20 h / Heating 2: 72 percent / iodine / 20 h / Heating View Scheme

n-butyl stearate (123-95-5) → tert-butyl octadecanoate (31158-92-6)

Conditions	Yield
Multi-step reaction with 2 steps 1: 82 percent / iodine / 20 h / Heating 2: 45 percent / iodine / 20 h / Heating View Scheme

methanesulfonic acid (75-75-2) + n-butyl methanesulfonate (1912-32-9) + n-butyl stearate (123-95-5) + stearic acid (57-11-4) → sodium stearate (822-16-2) + methanesulfonic acid sodium salt (2386-57-4)

Conditions	Yield
With sodium hydroxide; water In butan-1-ol at 50 - 175℃; for 0.666667 - 1h; Conversion of starting material;

methanesulfonic acid (75-75-2) + n-butyl methanesulfonate (1912-32-9) + n-butyl stearate (123-95-5) + stearic acid (57-11-4) → potassium mesylate (2386-56-3) + potassium stearate (593-29-3)

Conditions	Yield
With potassium hydroxide; water In butan-1-ol at 50 - 175℃; for 0.666667 - 1h; Conversion of starting material;

Upstream product

• 112-76-5 Stearoyl chloride 
• 71-36-3 butan-1-ol 
• 14617-86-8 4-nitrophenyl stearate 
• 57-11-4 stearic acid 
• 3634-92-2 propyl stearate 
• 112-61-8 Methyl stearate 
• 2372-45-4 sodium butanolate 
• 5531-65-7 benzyl stearate 
• 542-69-8 1-iodo-butane 
• 3507-99-1 silver⁽¹⁺⁾ stearate 

Downstream Products

• 2386-56-3 potassium mesylate 
• 593-29-3 potassium stearate 
• 822-16-2 sodium stearate 
• 2386-57-4 methanesulfonic acid sodium salt 
• 31158-92-6 tert-butyl stearate 
• 112-10-7 isopropyl stearate 
• 112-61-8 Methyl stearate 
• 112-92-5 1-octadecanol 
• 135-98-8 sec-Butylbenzene 

Related news

Production of n-Butyl stearate (cas 123-95-5) over PA/NaY catalyst09/08/2019

In the present study, the possibility of using PA/NaY (PA = 1-hydroxyethylidenediphosphonic acid) in the esterification reaction of n-butyl acetate production has been investigated. The process optimization using response surface methodology (RSM) was performed and the interactions between the o...detailed

Relevant articles and documents

Investigations of cylindrical reaction cavities from ordered phases of alkyl alkanoates and their influence on some Norrish-Yang and photo-fries reactions

The Norrish-Yang photochemistry of three isomeric p-alkyl alkanophenones (p-propyl nonadecanophenone, p-pentyl heptadecanophenone and p-octyl tetradecanophenone) and the photo-Fries reactions of 2-naphthyl myristate have been investigated in the ordered (layered) phases of three isomeric alkyl alkanoates. Comparisons of photoproduct selectivity for irradiation of one substrate in the isotropic and ordered phases of one host ester provide information concerning the influence of the cylindrically shaped reaction cavities on the relative motions and conformational changes necessary to convert the reactants to products. Comparisons of photoproduct distributions from one substrate in comparable phases of two or more esters provide details concerning the "wall stiffness" and importance of functional group interactions of the reaction cavities. Finally, comparisons using one substrate and two ordered phases of the same ester indicate the role of wall stiffness on photoproduct selectivity. The results show that the course of the photochemical reactions can be controlled effectively within the ordered media and provide an indication of how to design and select ordered media to effect other photochemical transformations selectively.

Development and Validation of a Novel Free Fatty Acid Butyl Ester Gas Chromatography Method for the Determination of Free Fatty Acids in Dairy Products

Accurate quantification of free fatty acids in dairy products is important for both product quality control and legislative purposes. In this study, a novel fatty acid butyl ester method was developed, where extracted free fatty acids are converted to butyl esters prior to gas chromatography with flame ionization detection. The method was comprehensively validated to establish linearity (20-700 mg/L; R2 > 0.9964), limits of detection (5-8 mg/L), limits of quantification (15-20 mg/L), accuracy (1.6-5.4% relative error), interday precision (4.4-5.3% relative standard deviation), and intraday precision (0.9-5.6% relative standard deviation) for each individual free fatty acid. A total of 17 dairy samples were analyzed, covering diverse sample matrices, fat content, and degrees of lipolysis. The method was compared to direct on-column injection and fatty acid methyl ester methods and overcomes limitations associated with these methods, such as either column-phase absorption or deterioration, accurate quantification of short-chain free fatty acids, and underestimation of polyunsaturated free fatty acid.

USE OF ENDOCANNABINOID-LIKE COMPOUNDS FOR TREATING CNS DEGENERATIVE DISORDERS

no abstract published