CAS No.4813-57-4,Octadecyl acrylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4813-57-4
Name:	Octadecyl acrylate
Article Data:	10

Formula:	C₂₁H₄₀O₂
Molecular Weight:	324.547
Synonyms:	1-Octadecanol,acrylate (5CI);Acrylic acid, octadecyl ester (6CI,7CI,8CI);Blemmer SA;Exceparl S;Light Acrylate S-A;SR 257;Stearyl acrylate;n-Octadecyl acrylate;
EINECS:	225-383-3
Density:	0.868 g/cm³
Melting Point:	32-34 °C(lit.)
Boiling Point:	400.2 °C at 760 mmHg
Flash Point:	153.1 °C
Solubility:	260.9ng/L at 25℃
Appearance:	white waxy solid
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-39
PSA:	26.30000
LogP:	6.97710

Synthetic route

: 112-92-5
1-octadecanol

: 79-10-7
acrylic acid

: 4813-57-4
octadecylacrylate

Conditions

Conditions	Yield
With 10H-phenothiazine; hydroquinone at 110 - 130℃; for 4.5h; Temperature;	95.7%
With 10H-phenothiazine at 254℃; under 20252 Torr; for 0.0119444h; Microwave Irradiation; Autoclave; Industry scale;	93%
With hydroquinone In cyclohexane at 60 - 140℃; for 6h;

: 112-92-5
1-octadecanol

: 814-68-6
acryloyl chloride

: 4813-57-4
octadecylacrylate

Conditions

Conditions	Yield
With dmap In dichloromethane Reflux;	95%

: 112-92-5
1-octadecanol

: 292638-85-8
acrylic acid methyl ester

: 4813-57-4
octadecylacrylate

Conditions

Conditions	Yield
With acid

: 112-92-5
1-octadecanol

: 74-86-2
acetylene

: 4813-57-4
octadecylacrylate

Conditions

Conditions	Yield
With hydrogenchloride; tetracarbonyl nickel; benzene

: 112-92-5
1-octadecanol

: 74-86-2
acetylene

carbon monoxide: carbon monoxide

: 4813-57-4
octadecylacrylate

Conditions

Conditions	Yield
With hydrogenchloride; tetracarbonyl nickel; acetone

...Expand

: 4813-57-4
octadecylacrylate

: 6284-40-8
1-deoxy-1-(methylamino)-D-glucitol

: C28H57NO7

Conditions

Conditions	Yield
In 1,4-dioxane; water at 50℃; for 5h;	98%

: 67-56-1
methanol

: 4813-57-4
octadecylacrylate

: 201230-82-2
carbon monoxide

: 1,2-dimethyl 1-octadecyl ethane-1,1,2-tricarboxylate

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; N,N'-bis(2,6-dimethylphenyl)butane-2,3-diimine; toluene-4-sulfonic acid; p-benzoquinone In tetrahydrofuran at 20℃; under 3000.3 Torr; for 67h; Autoclave;	92%

...Expand

: 4813-57-4
octadecylacrylate

: 609-36-9
rac-Pro-OH

: C26H49NO4

Conditions

Conditions	Yield
In ethanol at 75℃; for 15h; Michael Addition;	89.7%

: 4813-57-4
octadecylacrylate

: 1873-77-4
tris-(trimethylsilyl)silane

: octadecyl 3-[tris(trimethylsilyl)silyl]propionate

Conditions

Conditions	Yield
at 25 - 40℃; for 72h;	87%

: 955-10-2
3-phenylcumarin

: 4813-57-4
octadecylacrylate

: octadecyl (E)-3-(2-(2-oxo-2H-chromen-3-yl)phenyl)acrylate

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; palladium diacetate In trifluoroacetic acid; trifluoroacetic anhydride at 90℃; for 3h; regioselective reaction;	75%

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Specification

The Stearyl methacrylate is an organic compound with the formula C₂₁H₄₀O₂. The IUPAC name of this chemical is octadecyl prop-2-enoate. With the CAS registry number 4813-57-4 and EINECS 225-383-3, it is also named as 2-Propenoic acid, octadecyl ester. The product's category is Functional Monomer. What's more, this chemical is used as reactive diluent and cross-linking agent in the radiation curable system. It also can be used as resin cross-linking agent and modifier of plastic and rubber. Besides, it should be sealed in the container, kept away from light and stored in the cool and dry place.

The other characteristics of Stearyl methacrylate can be summarized as: (1)ACD/LogP: 9.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.83; (4)ACD/LogD (pH 7.4): 9.83; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5278370; (8)ACD/KOC (pH 7.4): 5278370; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 100.83 cm³; (15)Molar Volume: 373.7 cm3; (16)Polarizability: 39.97×10^-24 cm³; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.868 g/cm³; (19)Flash Point: 153.1 °C; (20)Enthalpy of Vaporization: 65.11 kJ/mol; (21)Boiling Point: 400.2 °C at 760 mmHg; (22)Vapour Pressure: 1.29E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCCCCCCCCCCCCCCCCC)\C=C
2. InChI:InChI=1/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
3. InChIKey:FSAJWMJJORKPKS-UHFFFAOYAT
4. Std. InChI:InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
5. Std. InChIKey:FSAJWMJJORKPKS-UHFFFAOYSA-N