2-Ethylhexyl acetate supplier

Name
2-Ethylhexyl acetate
EINECS 203-079-1
CAS No. 103-09-3
Article Data31
CAS DataBase
Density 0.872 g/cm³
Solubility Slightly soluble in water
Melting Point -92 °C
Formula C₁₀H₂₀O₂
Boiling Point 195.7 °C at 760 mmHg
Molecular Weight 172.268
Flash Point 71.4 °C
Transport Information
Appearance clear colorless liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms b-Ethylhexyl acetate;Octyl acetate;OctASOLV;2-Ethylhexyl acetate;NSC 8897;1-Hexanol,2-ethyl-, acetate (6CI);2-Ethyl-1-hexanol acetate;2-Ethyl-1-hexyl acetate;
PSA 26.30000
LogP 2.76590

Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

: 64-19-7
acetic acid

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With K5 for 0.75h; Heating;	99%
With polystyrene (PS)-supported 1-(propyl-3-sulfonate) imidazolium hydrosulfate In cyclohexane at 92℃; for 3h; Fischer-Speier esterification method; water segregator;	98.1 %Chromat.
In cyclohexane at 94℃; for 3h; Ionic liquid;	98.6 %Chromat.

: 108-05-4
vinyl acetate

: 104-76-7
2-Ethylhexyl alcohol

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes at 50℃; for 5h; Green chemistry;	99%
With steapsin lipase In hexane at 55℃; for 30h; Enzymatic reaction;	99 %Chromat.

: 104-76-7
2-Ethylhexyl alcohol

: 108-24-7
acetic anhydride

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
(NH4)8[CeW10O36]*20H2O for 0.25h; Heating;	97%
K5 In acetonitrile at 20℃; for 1h;	95%

: 104-76-7
2-Ethylhexyl alcohol

: 79-20-9
acetic acid methyl ester

: 123-11-5
4-methoxy-benzaldehyde

A: 103-09-3
2-ethylhexyl acetate

B: 5466-77-3
2-ethylhexyl methoxycinnamate

Conditions

Conditions	Yield
Stage #1: 2-Ethylhexyl alcohol; acetic acid methyl ester; 4-methoxy-benzaldehyde With sodium methylate at 20 - 100℃; under 45.0045 Torr; for 3.33333h; Stage #2: With sulfuric acid; toluene-4-sulfonic acid In water at 100℃; for 0.25h;	A n/a B 91.5%
Stage #1: 2-Ethylhexyl alcohol; acetic acid methyl ester; 4-methoxy-benzaldehyde With sodium methylate at 20 - 100℃; under 45.0045 Torr; for 3.33333h; Stage #2: With sulfuric acid In water at 100 - 150℃; for 2.25h;	A n/a B 90%

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 141-78-6
ethyl acetate

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With K5 for 2h; Heating;	91%

: 104-76-7
2-Ethylhexyl alcohol

: 79-20-9
acetic acid methyl ester

A: 67-56-1
methanol

B: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With NKC-9 at 80℃; for 3h; Catalytic behavior; Reagent/catalyst; Temperature;	A n/a B 90.9%

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 127-19-5
N,N-dimethyl acetamide

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With chloro-trimethyl-silane at 40℃; for 5h;	82%
With chloro-trimethyl-silane at 20 - 40℃; for 5h; Inert atmosphere;	82%

: 104-76-7
2-Ethylhexyl alcohol

: 75-36-5
acetyl chloride

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With pyridine; diethyl ether

: 18908-66-2
2-ethylhexyl bromide

: 1600-27-7
mercury(II) diacetate

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
In acetic acid Heating;

: 187737-37-7
propene

: 64-19-7
acetic acid

carbon monoxide: carbon monoxide

hydrogen: hydrogen

cobalt acetate: cobalt acetate

A: 110-19-0
2-methylpropyl acetate

B: 123-86-4
acetic acid butyl ester

C: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
at 250 - 270℃; under 514855 Torr;

...Expand

: 187737-37-7
propene

: 64-19-7
acetic acid

carbon monoxide: carbon monoxide

A: 103-09-3
2-ethylhexyl acetate

B butyl acetate and isobutyl acetate: butyl acetate and isobutyl acetate

Conditions

Conditions	Yield
With hydrogen; cobalt(II) acetate at 225 - 275℃; under 514855 Torr;

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 4163-60-4
β-D-galactose peracetate

A: 103-09-3
2-ethylhexyl acetate

B: 433930-42-8
2-ethylhexyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside

C: 14227-87-3
2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl chloride

Conditions

Conditions	Yield
With 4 A molecular sieve; tin(IV) chloride In dichloromethane at 20℃; for 1h;

...Expand

: 64-19-7
acetic acid

: 100528-70-9
2-(2-ethylhexyloxy)-tetrahydro-2H-pyran

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
K5 for 2h; Heating;	95 % Chromat.

: 141-78-6
ethyl acetate

: 100528-70-9
2-(2-ethylhexyloxy)-tetrahydro-2H-pyran

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
K5 for 8h; Heating;	88 % Chromat.

: 1632-16-2
2-ethyl-1-hexene

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) i-Bu2AlCl, Cp2ZrCl2, 2.) O2 / 1.) 40 deg C, 4 h, 2.) 4 h 2: pyridine View Scheme

: 104-76-7
2-Ethylhexyl alcohol

: 22352-19-8
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-β-D-glucopyranosyl acetate

A: 103-09-3
2-ethylhexyl acetate

B: 1-(2-ethyl-1-hexyl)-2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-β-D-glucopyranoside

C: 6919-99-9, 7166-81-6, 14227-58-8, 14227-65-7, 14543-79-4, 58720-13-1, 58720-14-2, 69283-24-5, 127419-32-3
hepta-O-acetyl-α-maltosyl chloride

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane for 1h; Molecular sieve; Inert atmosphere;

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 22352-19-8
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-β-D-glucopyranosyl acetate

A: 1-(2-ethyl-1-hexyl)-2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranoside

B: 103-09-3
2-ethylhexyl acetate

C: C32H50O17

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane for 72h; Molecular sieve; Inert atmosphere;

...Expand

: 1653-40-3
6-methylheptanol

: 79-20-9
acetic acid methyl ester

: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 65℃; for 4h;

: 104-76-7
2-Ethylhexyl alcohol

: 141-78-6
ethyl acetate

A: 123-04-6
3-(chloromethyl)heptane

B: 103-09-3
2-ethylhexyl acetate

Conditions

Conditions	Yield
With 1-pyrrolidinecarboxaldehyde; 1,3,5-trichloro-2,4,6-triazine at 80℃; for 6.5h; Sealed tube; Green chemistry;	A 67 %Spectr. B 14 %Spectr.

...Expand

: 103-09-3
2-ethylhexyl acetate

: 123-11-5
4-methoxy-benzaldehyde

: 5466-77-3
2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

Conditions

Conditions	Yield
With pyrrolidine; titanium tetrachloride In dichloromethane at -15 - 25℃; for 5h;	98%
With sodium methylate at 90℃; for 4h;	98.2%
With sodium methylate at 20 - 110℃; for 1.5h; Temperature; Large scale;	91.5%

: 103-09-3
2-ethylhexyl acetate

: 3-(tert-butylperoxy)-3-methylindolin-2-one

: 2-((2-ethylhexyl)oxy)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Conditions

Conditions	Yield
With tin(II) trifluoromethanesulfonate at 80℃; for 14h; Criegee Rearrangement; Sealed tube; Inert atmosphere;	45%

: 103-09-3
2-ethylhexyl acetate

: 1632-16-2
2-ethyl-1-hexene

Conditions

Conditions	Yield
at 500℃; Thermolysis;
at 500℃; bei der thermischen Zersetzung an Glaswolle;

: 103-09-3
2-ethylhexyl acetate

A: 104-76-7
2-Ethylhexyl alcohol

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
at 30℃; for 120h; bacterium Pseudomonas fragi IFO 3458; agar plate; other bacteria;

: 103-09-3
2-ethylhexyl acetate

: 58955-90-1
iso‐octyl azide

Conditions

Conditions	Yield
With sodium azide In tetrahydrofuran; water for 9h; Reflux;

2-Ethylhexyl acetate Chemical Properties

Molecular Structure of 2-Ethylhexyl acetate (CAS NO.103-09-3):

Molecular Formula: C₁₀H₂₀O₂
Molecular Weight: 172.27
IUPAC Name: 2-Ethylhexyl acetate
Synonyms: .beta.-Ethylhexyl acetate ; 2-Ethylhexyl acetate ; Acetic acid, 2-ethylhexyl ester
CAS NO: 103-09-3
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 26.3 Å²
Index of Refraction: 1.421
Molar Refractivity: 50.11 cm³
Molar Volume: 197.4 cm³
Surface Tension: 27.4 dyne/cm
Density: 0.872 g/cm³
Flash Point: 71.4 °C
Enthalpy of Vaporization: 43.19 kJ/mol
Boiling Point: 195.7 °C at 760 mmHg
Vapour Pressure: 0.413 mmHg at 25°C
Melting Point: -92°C
Appearance: clear colorless liquid
Product Categories of 2-Ethylhexyl acetate (CAS NO.103-09-3): Alphabetical Listings;E-F;Flavors and Fragrances
SMILES: O=C(OCC(CCCC)CC)C
InChI: InChI=1/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
InChIKey: WOYWLLHHWAMFCB-UHFFFAOYAJ
Std. InChI: InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
Std. InChIKey: WOYWLLHHWAMFCB-UHFFFAOYSA-N

2-Ethylhexyl acetate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	skin	> 20mL/kg (20mL/kg)	Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
mouse	LD50	oral	> 3200mg/kg (3200mg/kg)	Kodak Company Reports. Vol. 21May1971,
rabbit	LD	skin	> 20mL/kg (20mL/kg)	Union Carbide Data Sheet. Vol. 4/21/1967,
rat	LC	inhalation	> 1100ppm/6H (1100ppm)	Kodak Company Reports. Vol. 21MAY1971,
rat	LD50	oral	3gm/kg (3000mg/kg)	Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

2-Ethylhexyl acetate Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 1
RTECS: AH5600000
HS Code: 29153990

2-Ethylhexyl acetate Specification

1.General Description: A water-white liquid. Insoluble in water and is less dense than water. Flash point 180°F. Used as a solvent and in perfumes. Liquid or vapors may irritate skin and eyes. Vapors have a fruity, pleasant odor.
2.Air & Water Reactions: Insoluble in water.
3.Reactivity Profile: 2-Ethylhexyl acetate (CAS NO.103-09-3) is an ester. As an ester, the hydrolysis of 2-ethylhexyl acetate can also occur by using Candida cylindracea ATCC 14830. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Contact with strong oxidizers may cause vigorous reaction .
4.Health Hazard :Prolonged skin contact may cause irritation.
5.Fire Hazard: Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire.

Product Name

2-Ethylhexyl acetate

Synthetic route

2-Ethylhexyl acetate Chemical Properties

2-Ethylhexyl acetate Toxicity Data With Reference

2-Ethylhexyl acetate Safety Profile

2-Ethylhexyl acetate Specification

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