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Octadecyl acrylate
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  • Name Octadecyl acrylate
  • EINECS225-383-3
  • CAS No. 4813-57-4
  • Density0.868 g/cm3
  • PSA26.30000
  • LogP6.97710
  • Solubility260.9ng/L at 25℃
  • Melting Point32-34 °C(lit.)
  • FormulaC21H40O2
  • Boiling Point400.2 °C at 760 mmHg
  • Molecular Weight324.547
  • Flash Point153.1 °C
  • Transport InformationN/A
  • Appearancewhite waxy solid
  • Safety26-39
  • Risk Codes41
  • Molecular Structure
    Molecular Structure of 4813-57-4 (Octadecyl acrylate)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data10

Octadecyl acrylate Synthetic route

112-92-5

1-octadecanol

79-10-7

acrylic acid

4813-57-4

octadecylacrylate

Conditions
ConditionsYield
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
ConditionsYield
With dmap In dichloromethane Reflux;95%
112-92-5

1-octadecanol

292638-85-8

acrylic acid methyl ester

4813-57-4

octadecylacrylate

Conditions
ConditionsYield
With acid
112-92-5

1-octadecanol

74-86-2

acetylene

4813-57-4

octadecylacrylate

Conditions
ConditionsYield
With hydrogenchloride; tetracarbonyl nickel; benzene
112-92-5

1-octadecanol

74-86-2

acetylene

carbon monoxide

carbon monoxide

4813-57-4

octadecylacrylate

Conditions
ConditionsYield
With hydrogenchloride; tetracarbonyl nickel; acetone
4813-57-4

octadecylacrylate

6284-40-8

1-deoxy-1-(methylamino)-D-glucitol

C28H57NO7

Conditions
ConditionsYield
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
ConditionsYield
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%
4813-57-4

octadecylacrylate

609-36-9

rac-Pro-OH

C26H49NO4

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

Octadecyl acrylate 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

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