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| CAS No.: | 103-09-3 |
|---|---|
| Name: | 2-Ethylhexyl acetate |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 2.76590 |
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| 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. |
| 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. |
| 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 | 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% |
| 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 | Yield |
|---|---|
| With NKC-9 at 80℃; for 3h; Catalytic behavior; Reagent/catalyst; Temperature; | A n/a B 90.9% |
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane at 40℃; for 5h; | 82% |
| With chloro-trimethyl-silane at 20 - 40℃; for 5h; Inert atmosphere; | 82% |
| Conditions | Yield |
|---|---|
| With pyridine; diethyl ether |
| Conditions | Yield |
|---|---|
| In acetic acid Heating; |
- 187737-37-7
propene
- 64-19-7
acetic acid
A
- 110-19-0
2-methylpropyl acetate
B
- 123-86-4
acetic acid butyl ester
C
- 103-09-3
2-ethylhexyl acetate
| Conditions | Yield |
|---|---|
| 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: 
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
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.