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Name |
octyl acrylate |
EINECS | 219-696-4 |
CAS No. | 2499-59-4 | Density | 0.883 g/cm3 |
PSA | 26.30000 | LogP | 3.07610 |
Solubility | N/A | Melting Point |
-58.7°C (estimate) |
Formula | C11H20O2 | Boiling Point | 228.999 °C at 760 mmHg |
Molecular Weight | 184.279 | Flash Point | 77.074 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi,N | |
Synonyms |
Acrylicacid, octyl ester (6CI,8CI);1-Octyl acrylate;ENT 3827;NSC 5177;Octyl2-propenoate;Octyl acrylate;n-Octyl acrylate;Acrylic acid, octyl ester; |
Article Data | 27 |
Conditions | Yield |
---|---|
With Cp*2Sm(THF)2 In toluene Ambient temperature; further reagent: SmI2; | 99% |
With 1,3-dichlorotetrabutyldistannoxane at 50℃; for 15h; | 98% |
With 1,3-dichlorotetrabutyldistannoxane at 50℃; for 15h; | 98% |
In 2,2,4-trimethylpentane at 37℃; immobilized lipase from Candida cylindracea; |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 91% |
With triethylamine In tetrahydrofuran at 10 - 20℃; for 3h; | 79% |
With triethylamine In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 76.6% |
Acrylic acid 8-iodo-octyl ester
A
oxacyclododecan-2-one
B
octyl acrylate
C
1,13-dioxa-cyclotetracosane-2,14-dione
Conditions | Yield |
---|---|
With sodium cyanoborohydride In methanol for 3h; Ambient temperature; Irradiation; | A 79% B 2 % Chromat. C 14 % Chromat. |
octanol
tert-Butyl acrylate
A
octyl acrylate
B
3-octyloxy-propionic acid octyl ester
C
tert-butyl 3-(octyloxy)propanoate
Conditions | Yield |
---|---|
Stage #1: octanol With sodium In tetrahydrofuran for 4h; Stage #2: tert-Butyl acrylate In tetrahydrofuran at 20℃; | A n/a B n/a C 59% |
Conditions | Yield |
---|---|
lanthanum(III) isopropoxide at 25℃; for 2h; | 50% |
samarium(III) isopropoxide at 25℃; for 2h; | 50 %Chromat. |
di(n-butyl)tin oxide | 1 %Chromat. |
Conditions | Yield |
---|---|
With sodium hydrogen sulfate at 110℃; for 2h; | A 48.2% B 47.7% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 110℃; for 8h; | 36.46% |
With zirconium(IV) oxychloride at 50℃; for 24h; | 60 % Chromat. |
dodecylbenzene sulfonic acid at 20℃; for 72h; Product distribution; Further Variations:; Catalysts; | 86.7 % Turnov. |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); tertbutyltin hydride In benzene for 3h; Heating; | A 29% B 29% |
Conditions | Yield |
---|---|
With water; tetracarbonyl nickel; acrylic acid |
The 2-Propenoic acid, octylester, with the CAS registry number 2499-59-4, is also known as NSC 5177 . It belongs to the product category of Monomer. Its EINECS registry number is 219-696-4. This chemical's molecular formula is C11H20O2 and molecular weight is 184.2753. Its IUPAC name is called octyl prop-2-enoate.
Physical properties of 2-Propenoic acid, octylester: (1)ACD/LogP: 4.51; (2)ACD/LogD (pH 5.5): 4.51; (3)ACD/LogD (pH 7.4): 4.51; (4)ACD/BCF (pH 5.5): 1583.86; (5)ACD/BCF (pH 7.4): 1583.86; (6)ACD/KOC (pH 5.5): 6791.34; (7)ACD/KOC (pH 7.4): 6791.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.435; (11)Molar Refractivity: 54.51 cm3; (12)Molar Volume: 208.6 cm3; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 0.883 g/cm3; (15)Flash Point: 77.1 °C; (16)Enthalpy of Vaporization: 46.56 kJ/mol; (17)Boiling Point: 229 °C at 760 mmHg; (18)Vapour Pressure: 0.0712 mmHg at 25°C.
Preparation: this chemical can be prepared by octan-1-ol and acrylic acid vinyl ester. This reaction will need solvent 2,2,4-trimethyl-pentane. The reaction temperature is 37 °C.
Uses of 2-Propenoic acid, octylester: it can be used to produce trans-cinnamic acid octyl ester at temperature of 100 °C. This reaction will need reagent Bu3N with reaction time of 2 hours. The yield is about 93%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCOC(=O)C=C
(2)InChI: InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
(3)InChIKey: ANISOHQJBAQUQP-UHFFFAOYSA-N