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103-09-3

Basic Information
CAS No.: 103-09-3
Name: 2-Ethylhexyl acetate
Article Data: 31
Molecular Structure:
Molecular Structure of 103-09-3 (2-Ethylhexyl acetate)
Formula: C10H20O2
Molecular Weight: 172.268
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;
EINECS: 203-079-1
Density: 0.872 g/cm3
Melting Point: -92 °C
Boiling Point: 195.7 °C at 760 mmHg
Flash Point: 71.4 °C
Solubility: Slightly soluble in water
Appearance: clear colorless liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
(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
ConditionsYield
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%
104-76-7

2-Ethylhexyl alcohol

141-78-6

ethyl acetate

103-09-3

2-ethylhexyl acetate

Conditions
ConditionsYield
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
ConditionsYield
With NKC-9 at 80℃; for 3h; Catalytic behavior; Reagent/catalyst; Temperature;A n/a
B 90.9%
104-76-7

2-Ethylhexyl alcohol

127-19-5

N,N-dimethyl acetamide

103-09-3

2-ethylhexyl acetate

Conditions
ConditionsYield
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
ConditionsYield
With pyridine; diethyl ether
18908-66-2

2-ethylhexyl bromide

1600-27-7

mercury(II) diacetate

103-09-3

2-ethylhexyl acetate

Conditions
ConditionsYield
In acetic acid Heating;
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
ConditionsYield
at 250 - 270℃; under 514855 Torr;
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Chemistry

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

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect 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.

Safety Profile

Hazard Codes: IrritantXi
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

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.