CAS No.2499-59-4,N-OCTYL ACRYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2499-59-4
Name:	N-OCTYL ACRYLATE
Article Data:	27

Formula:	C₁₁H₂₀O₂
Molecular Weight:	184.279
Synonyms:	Acrylicacid, octyl ester (6CI,8CI);1-Octyl acrylate;ENT 3827;NSC 5177;Octyl2-propenoate;Octyl acrylate;n-Octyl acrylate;Acrylic acid, octyl ester;
EINECS:	219-696-4
Density:	0.883 g/cm³
Melting Point:	-58.7°C (estimate)
Boiling Point:	228.999 °C at 760 mmHg
Flash Point:	77.074 °C
Hazard Symbols:	Xi,N
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.30000
LogP:	3.07610

Synthetic route

: 111-87-5
octanol

: 2177-18-6
vinyl acrylate

: 2499-59-4
octyl acrylate

Conditions

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;

: 111-87-5
octanol

: 814-68-6
acryloyl chloride

: 2499-59-4
octyl acrylate

Conditions

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%

: 109182-97-0
Acrylic acid 8-iodo-octyl ester

A: 1725-03-7
oxacyclododecan-2-one

B: 2499-59-4
octyl acrylate

C: 659-77-8
1,13-dioxa-cyclotetracosane-2,14-dione

Conditions

Conditions	Yield
With sodium cyanoborohydride In methanol for 3h; Ambient temperature; Irradiation;	A 79% B 2 % Chromat. C 14 % Chromat.

...Expand

: 111-87-5
octanol

: 1663-39-4
tert-Butyl acrylate

A: 2499-59-4
octyl acrylate

B: 94434-74-9
3-octyloxy-propionic acid octyl ester

C: 1161364-23-3
tert-butyl 3-(octyloxy)propanoate

Conditions

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%

...Expand

: 111-87-5
octanol

: 292638-85-8
acrylic acid methyl ester

: 2499-59-4
octyl acrylate

Conditions

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.

: 111-87-5
octanol

: 79-10-7
acrylic acid

A: 2499-59-4
octyl acrylate

B: 3-(octyloxy)-3-oxopropyl acrylate

Conditions

Conditions	Yield
With sodium hydrogen sulfate at 110℃; for 2h;	A 48.2% B 47.7%

...Expand

: 111-87-5
octanol

: 79-10-7
acrylic acid

: 2499-59-4
octyl acrylate

Conditions

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.

: 109182-97-0
Acrylic acid 8-iodo-octyl ester

A: 1725-03-7
oxacyclododecan-2-one

B: 2499-59-4
octyl acrylate

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tertbutyltin hydride In benzene for 3h; Heating;	A 29% B 29%

: 111-87-5
octanol

: 3840-67-3
sulfuric acid mono-(2-carbamoyl-ethyl) ester

: 2499-59-4
octyl acrylate

: 111-87-5
octanol

: 74-86-2
acetylene

carbon monoxide: carbon monoxide

: 2499-59-4
octyl acrylate

Conditions

Conditions	Yield
With water; tetracarbonyl nickel; acrylic acid

...Expand

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Specification

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