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| CAS No.: | 88-09-5 |
|---|---|
| Name: | 2-Ethylbutyric acid |
| Article Data: | 94 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H12 O2 |
| Molecular Weight: | 116.16 |
| Synonyms: | Butyricacid, 2-ethyl- (6CI,7CI,8CI); Butyric acid, a-ethyl- (3CI); 2-Ethyl-n-butyric acid; 2-Ethylbutanoicacid; 2-Ethylbutyric acid; 3-Pentanecarboxylic acid; Acetic acid, diethyl-;Diethylacetic acid; NSC 11765; NSC 8758; a-Ethylbutyric acid |
| EINECS: | 201-796-4 |
| Density: | 0.924 |
| Melting Point: | -13 C |
| Boiling Point: | 194 C |
| Flash Point: | 87 ºC |
| Solubility: | sparingly soluble miscible with the usual organic solvents |
| Appearance: | clear liquid |
| Hazard Symbols: |
|
| Risk Codes: | R21;R34 |
| Safety: | Moderately toxic by ingestion and skin contact. An irritant to skin and mucous membranes. A severe eye irritant. See also ESTERS. Narcotic in high concentrations. Flammable liquid. To fight fire, use CO2, dry chemical, alcohol foam. When heated to decomposition it emits acrid smoke and fumes. |
| Transport Information: | 2810 |
| PSA: | 37.30000 |
| LogP: | 1.50720 |
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| Conditions | Yield |
|---|---|
| With poly-4-vinylpyridine In N,N-dimethyl-formamide for 0.05h; microwave irradiation; | 93% |
| In water for 0.25h; Decarboxylation; microwave irradiation; | 80% |
| at 170 - 180℃; |
- 140614-19-3
(2-ethyl-1-butyl)boronic acid
- 88-09-5
2-Ethylbutanoic acid
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide In dichloromethane; acetic acid at 25℃; for 12h; | 92% |
| Conditions | Yield |
|---|---|
| With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; for 3h; Schlenk technique; | 88% |
| With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; under 760.051 Torr; for 3h; Catalytic behavior; Solvent; Schlenk technique; | 88% |
| With calcium hypochlorite; acetic acid In water; acetonitrile Ambient temperature; | 75% |
| Conditions | Yield |
|---|---|
| at 70℃; for 3.5h; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: 1M NaOH/H2O; | 73% |
| at 70℃; for 3.5h; Product distribution; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: 1M NaOH/water; variation of temperature; | 73% |
| Stage #1: 2-ethyl-1-butanol With [RuCl2(p-cymene)(iPr2-imy)]; tricyclohexylphosphine tetrafluoroborate; potassium hydroxide In toluene for 18h; Schlenk technique; Inert atmosphere; Reflux; Stage #2: With hydrogenchloride In water pH=1; | 60% |
| With dichloro(1,5-cyclooctadiene)ruthenium(II); C30H30N3P2(1+)*Cl(1-); potassium hydroxide In toluene at 120℃; for 24h; Inert atmosphere; Schlenk technique; | 55% |
| With permanganate(VII) ion |
- 128608-23-1
3,3-diethyl-2-phenylsulphonyl-2-trimethylsilyloxirane
A
- 88-09-5
2-Ethylbutanoic acid
B
- 128589-01-5
2-bromo-2-ethylbutanoyltrimethylsilane
C
- 128589-05-9, 139117-12-7
(E)-2-ethylbut-2-enoyltrimethylsilane
D
- 139117-13-8
2-ethyl-2-phenylsulphonylbutanoyltrimethylsilane
| Conditions | Yield |
|---|---|
| With magnesium bromide ethyl etherate In diethyl ether at 0℃; for 2h; | A 19% B 57% C 9% D 0.5% |
- 104723-47-9
3-Dibutoxymethyl-pentane
A
- 88-09-5
2-Ethylbutanoic acid
B
- 5129-48-6
butyl 2-ethylbutyrate
C
- 107-92-6
butyric acid
D
- 71-36-3
butan-1-ol
| Conditions | Yield |
|---|---|
| With oxygen; cobalt(II) acetate at 90℃; under 750.06 Torr; Mechanism; Rate constant; other pressure; | A 2% B 6% C 10% D 46% |
| Conditions | Yield |
|---|---|
| With barium dihydroxide In water for 18h; Heating; | A 10% B 38% |
- 201230-82-2
carbon monoxide
- 109-66-0
pentane
A
- 88-09-5
2-Ethylbutanoic acid
B
- 97-61-0, 22160-39-0
2-Methylpentanoic acid
| Conditions | Yield |
|---|---|
| With potassium peroxodisulfate; Cu(1,10-phenanthroline)(1,2-ethanediphosphonic acid); water In acetonitrile at 60℃; under 15201 Torr; for 4h; Autoclave; High pressure; Overall yield = 35.8 %Chromat.; | A 10.6% B 24% |
| With dipotassium peroxodisulfate; BF4(1-)*C24H51BCu3N3O16(1+)*2H2O; water In acetonitrile at 60℃; under 15201 Torr; for 6h; Autoclave; | A 8.6% B 17% |
| With dipotassium peroxodisulfate; C26H38Cu3N4O16; water In acetonitrile at 60℃; for 6h; Reagent/catalyst; Autoclave; Green chemistry; | A 7.4% B 17.2% |
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Chemistry
Chemical Name: 2-Ethylbutyric acid
IUPAC NAME: 2-Ethylbutanoic acid
CAS No.: 88-09-5
EINECS: 201-796-4
RTECS: ET1400000
Molecular Formula: C6H12O2
Molecular Weight: 116.16 g/mol
Melting Point: -14 °C
Density: 0.947 g/cm3
Flash Point: 88.4 °C
Boiling Point: 195.4 °C at 760 mmHg
Following is the structure of Diethylacetic acid (88-09-5):
The chemical synonymous of Diethylacetic acid (88-09-5) are 2-Ethyl-butanoicaci ; 2-Ethylbutansαure ; 2-Ethylbuttersαure ; 2-Ethylbutyric ; 2-Ethyl-butyricaci ; 2-Ethylbutyricaicd ; 3-Pentanecarboxylic acid
Uses
Diethylacetic acid (88-09-5) is used in flavourings, it also used as an intermediate for pharmaceuticals and dyestuffs and in the manufacture of esters and other chemicals.
Toxicity Data With Reference
| 1. | skn-rbt 10 mg/24H open MLD | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 2. | eye-rbt 250 µg open SEV | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 3. | orl-rat LD50:2200 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 4. | skn-rbt LD50:520 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and skin contact. An irritant to skin and mucous membranes. A severe eye irritant. See also ESTERS. Narcotic in high concentrations. Flammable liquid. To fight fire, use CO2, dry chemical, alcohol foam. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes:
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Risk Statements about Diethylacetic acid (88-09-5):
R21 Harmful in contact with skin.
R34 Causes burns.
Safety Statements about Diethylacetic acid (88-09-5):
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
Attention:
1. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2. Handling: Wash thoroughly after handling. Use only in a well ventilated area. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Do not get on skin or in eyes. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.