Butyl stearate supplier | CasNO.123-95-5

Name
n-Butyl stearate
EINECS 204-666-5
CAS No. 123-95-5
Article Data28
CAS DataBase
Density 0.861 g/cm³
Solubility
Melting Point 18-23 °C
Formula C₂₂H₄₄O₂
Boiling Point 388.9 °C at 760 mmHg
Molecular Weight 340.59
Flash Point 193.5 °C
Transport Information
Appearance low melting solid or liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 26.30000
LogP 7.59120

Synthetic route

: 112-61-8
Methyl stearate

: 71-36-3
butan-1-ol

: 123-95-5
n-butyl stearate

Conditions

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%

: 57-11-4
stearic acid

: 71-36-3
butan-1-ol

: 123-95-5
n-butyl stearate

Conditions

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%

: 112-76-5
Stearoyl chloride

: 71-36-3
butan-1-ol

: 123-95-5
n-butyl stearate

Conditions

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

: 542-69-8
1-iodo-butane

: 3507-99-1
silver(1+) stearate

: 123-95-5
n-butyl stearate

Conditions

Conditions	Yield
at 100℃;

: 5531-65-7
benzyl stearate

: 71-36-3
butan-1-ol

: 123-95-5
n-butyl stearate

Conditions

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

: 2372-45-4
sodium butanolate

olive oil: olive oil

: 123-95-5
n-butyl stearate

Conditions

Conditions	Yield
With benzene

: 3634-92-2
propyl stearate

: 123-95-5
n-butyl stearate

Conditions

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

: 57-11-4
stearic acid

nickel-copper-hydroxide: nickel-copper-hydroxide

: 123-95-5
n-butyl stearate

Conditions

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

: 57-11-4
stearic acid

A: 123-95-5
n-butyl stearate

B: 5143-87-3, 14536-11-9, 22602-12-6
titanium(IV) stearate

C: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With water; magnesium stearate at 100℃;

...Expand

: 14617-86-8
4-nitrophenyl stearate

: 71-36-3
butan-1-ol

: 123-95-5
n-butyl stearate

Conditions

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

: 67-56-1
methanol

: 123-95-5
n-butyl stearate

: 112-61-8
Methyl stearate

Conditions

Conditions	Yield
iodine for 20h; Heating;	82%

: 542-52-9
Dibutyl carbonate

: 123-95-5
n-butyl stearate

: 3999-70-0
potassium n-butoxide

: 854843-07-5
hexadecyl-malonic acid dibutyl ester

Conditions

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

...Expand

: 542-52-9
Dibutyl carbonate

: 123-95-5
n-butyl stearate

: 854843-07-5
hexadecyl-malonic acid dibutyl ester

Conditions

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

: 123-95-5
n-butyl stearate

nickel: nickel

: 112-92-5
1-octadecanol

Conditions

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

: 7446-70-0
aluminium trichloride

: 123-95-5
n-butyl stearate

: 71-43-2
benzene

: 135-98-8, 36383-15-0
sec-Butylbenzene

Conditions

Conditions	Yield
at 75℃;

...Expand

: 123-95-5
n-butyl stearate

: 112-10-7
isopropyl stearate

Conditions

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

: 123-95-5
n-butyl stearate

: 31158-92-6
tert-butyl octadecanoate

Conditions

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

: 75-75-2
methanesulfonic acid

: 1912-32-9
n-butyl methanesulfonate

: 123-95-5
n-butyl stearate

: 57-11-4
stearic acid

A: 822-16-2
sodium stearate

B: 2386-57-4
methanesulfonic acid sodium salt

Conditions

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

...Expand

: 75-75-2
methanesulfonic acid

: 1912-32-9
n-butyl methanesulfonate

: 123-95-5
n-butyl stearate

: 57-11-4
stearic acid

A: 2386-56-3
potassium mesylate

B: 593-29-3
potassium stearate

Conditions

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

...Expand

Butyl stearate Consensus Reports

Reported in EPA TSCA Inventory.

Butyl stearate Specification

The Butyl stearate, with the cas number 123-95-5, is also called butyl octadecanoate. And it's system names are (1)Butyl stearate ; (2)Octadecanoic acid, butyl ester ; (3)Stearic acid, butyl ester . It belongs to the following product categories: industrial/Fine Chemicals. It should be stored around -20°C as well as in a cool, dry, well-ventilated area away from incompatible substances.

Physical properties about Butyl stearate are: (1)ACD/LogP: 10.27 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 10.27 ; (4)ACD/LogD (pH 7.4): 10.27 ; (5)ACD/KOC (pH 5.5): 9232486 ; (6)ACD/KOC (pH 7.4): 9232486 ; (7)#H bond acceptors: 2 ; (8)#H bond donors: 0 ; (9)#Freely Rotating Bonds: 20 ; (10)Polar Surface Area: 26.3Å² ; (11)Index of Refraction: 1.447 ; (12)Molar Refractivity: 105.74 cm³ ; (13)Molar Volume: 395.1 cm³ ; (14)Polarizability: 41.92 ×10^-24cm³ ; (15)Surface Tension: 30.9 dyne/cm ; (16)Density: 0.861 g/cm³ ; (17)Flash Point: 193.5 °C ; (18)Enthalpy of Vaporization: 63.81 kJ/mol ; (19)Boiling Point: 388.9 °C at 760 mmHg ; (20)Vapour Pressure: 2.97E-06 mmHg at 25°C

When you are using Butyl stearate, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. Before you are using, please wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Uses of Butyl stearate: Butyl stearate is used as food packaging material and lubricant for processing resin. Beside, it can be used as reactant in many reaction, for instance, it can react with methanol to produce octadecanoic acid methyl ester accroding to the following chemical reaction formula:

You can still convert the following datas into molecular structure :
(1) SMILES: O=C(OCCCC)CCCCCCCCCCCCCCCCC
(2) InChI:InChI=1/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3

Toxic information of Butyl stearate can be showed as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
rat	LD50	intraperitoneal	> 32gm/kg (32000mg/kg)	"Practical Toxicology of Plastics," Lefaux, R., Cleveland, OH, Chemical Rubber Co., 1968Vol. -, Pg. 323, 1968.
rat	LD50	oral	32gm/kg (32000mg/kg)	International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
rat	LD50	subcutaneous	> 32gm/kg (32000mg/kg)	"Practical Toxicology of Plastics," Lefaux, R., Cleveland, OH, Chemical Rubber Co., 1968Vol. -, Pg. 323, 1968.

Product Name

n-Butyl stearate

Synthetic route

Butyl stearate Consensus Reports

Butyl stearate Specification

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