(C2H5)2CHCOOH
2-Ethylbutyric acid
CAS: 88-09-5
Molecular Formula: C6H12O2
(C2H5)2CHCOOH - Names and Identifiers
| Name | 2-Ethylbutyric acid |
| Synonyms | (C2H5)2CHCOOH 2-ethylbutyric 2-ethylbutanoate 2-Ethylbutansαure Diethylacetic acid 2-Ethylbuttersαure 2-ethyl-butyricaci 2-Ethylbutyricaicd 2-Ethylbutyric acid 2-ethyl-butanoicaci 2-Ethylbutanoic Acid 3-Pentanecarboxylic acid Pentane-3-carboxylic acid |
| CAS | 88-09-5 |
| EINECS | 201-796-4 |
| InChI | InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1 |
(C2H5)2CHCOOH - Physico-chemical Properties
| Molecular Formula | C6H12O2 |
| Molar Mass | 116.16 |
| Density | 0.92 g/mL at 25 °C (lit.) |
| Melting Point | -16--13 °C (lit.) |
| Boling Point | 99-101 °C/18 mmHg (lit.) |
| Flash Point | 190°F |
| JECFA Number | 257 |
| Water Solubility | 18 g/L (20 ºC) |
| Solubility | 18g/l |
| Vapor Presure | 0.08 mm Hg ( 20 °C) |
| Appearance | Transparent liquid |
| Color | Colorless to Almost colorless |
| Merck | 14,3110 |
| BRN | 1098634 |
| pKa | pKa: 4.751(25°C) |
| PH | 3 (18g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.4%(V) |
| Refractive Index | n20/D 1.413(lit.) |
| MDL | MFCD00002670 |
| Physical and Chemical Properties | Colorless volatile liquid, a light cheese and mildew smell, there is a sour taste. Boiling point 121.0 °c or 99 °c (2400Pa), vapor pressure 10.67 (0.08mmHg,20 °c), flash point 25.6 °c, melting point -9.3 °c. Miscible in ethanol and ether, 1 ml dissolved in 65ml water. |
| Use | For the manufacture of esters, also used as dye intermediates |
(C2H5)2CHCOOH - Risk and Safety
| Risk Codes | R21 - Harmful in contact with skin R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns |
| Safety Description | 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 whenever possible.) S36 - Wear suitable protective clothing. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | ET1400000 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 2200 mg/kg LD50 dermal Rabbit 478 mg/kg |
(C2H5)2CHCOOH - Reference
| Reference Show more | 1. [IF=5.396] Yuxin Cheng et al."Lactobacillus casei-fermented blueberry pomace augments sIgA production in high-fat diet mice by improving intestinal microbiota."Food Funct. 2020 Jul;11(7):6552-6564 2. [IF=4.952] Yuxin Cheng et al."Fermented blueberry pomace with antioxidant properties improves fecal microbiota community structure and short chain fatty acids production in an in vitro mode."Lwt Food Sci Technol. 2020 May;125:109260 3. [IF=3.638] Yuxin Cheng et al."Cardamine hupingshanensis aqueous extract improves intestinal redox status and gut microbiota in Se-deficient rats."J Sci Food Agr. 2021 Feb;101(3):989-996 4. [IF=4.35] Ting Wu et al."Modulation of Gut Microbiota by Lactobacillus casei Fermented Raspberry Juice In Vitro and In Vivo."Foods. 2021 Dec;10(12):3055 |
(C2H5)2CHCOOH - Nature
Open Data Verified Data
colorless transparent liquid. Melting Point -15 °c. Boiling point 194.2 °c. Flash point 99 °c. The relative density was 0.9245. Refractive index 4133, solubility in water (20 °c) 1.6%. The solubility of water in this product (20 degrees C) 3.3%.
Last Update：2024-01-02 23:10:35
(C2H5)2CHCOOH - Preparation Method
Open Data Verified Data
- 2 ethyl butanol is oxidized to form an acid.
- 3 amyl alcohol under the action of sulfuric acid with anhydrous formic acid reaction can be 2 ethyl butyric acid.
Last Update：2022-01-01 10:30:55
(C2H5)2CHCOOH - Introduction
Soluble in alcohol and ether, solubility in water (20 ℃)1.6%. The solubility of water in this product (20 ℃) is 3.3%.
Last Update：2022-10-16 17:29:33
(C2H5)2CHCOOH - Use
Open Data Verified Data
It can be used as a raw material for plasticizers, flavoring agents, drying agents, preservatives, drugs and coatings, and can also be used as a raw material for cosmetics.
Last Update：2022-01-01 10:30:55
(C2H5)2CHCOOH - Safety
Open Data Verified Data
rat oral LD50 2200mg/kg, rabbit skin LD50 520mg/kg. The operator should wear protective gear. lOOkg aluminium barrel. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:30:56
(C2H5)2CHCOOH - Reference Information
| FEMA | 2429 | 2-ETHYLBUTYRIC ACID |
| LogP | 1.68 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | GB 2760-96 specifies the permitted use of food spices. Mainly used for the preparation of cranberry, cheese, nuts and other types of flavor. This product is an intermediate for the manufacture of esters and dyes. It is used as a raw material for plasticizers, flavoring agents, drying agents, surface coating agents, preservatives and drugs, and can also be used as a raw material for cosmetics. The product is China's GB2760-86 provisions for the use of spices, mainly used for the preparation of strawberry, cheese, nuts and other types of flavor. used in the manufacture of esters and also as dye intermediates raw materials for the production of plasticizers, lubricants and perfume esters for windshield liners. |
| production method | 1.2-ethyl butanol is oxidized to form an acid. 2-ethyl butyric acid was obtained by the reaction of 2.3-pentanol with anhydrous formic acid in the presence of sulfuric acid. It is formed by catalytic oxidation of diethylacetaldehyde. From diethyl malonic acid by decarboxylation reaction. |
| autoignition temperature | 345°C |
Last Update：2024-04-09 15:16:53
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View History
(C2H5)2CHCOOH
4-P-ISOPROPYLPHENYLAMINO-N-CARBETHOXYPIPERIDINEDIHYDROCHLORIDE
AMMONIUM MOLYBDATE TS
2-O-乙酰基-5-硝酸异山梨酯
4-氯-4'-[8-(1,4-二恶-8-氮杂螺-[4.5]癸基)甲基]-2-氟苯甲酮
6-[4-(N-马来酰亚胺基甲基)环己烷]-1-羧酸琥珀酰亚胺酯
P-CRESOL-D3 (METHYL-D3)
Clevidipine Butyrate iMpurity Ⅵ
HEXAFLUOROARSENIC ACID POTASSIUM
5-[(3,4-Dimethoxyphenyl)methyl]-2-[4-[4-[5-[(3,4-dimethoxyphenyl)methyl]-3-phenyltetrazol-2-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3-phenyltetrazol-2-ium Dichloride
4-P-ISOPROPYLPHENYLAMINO-N-CARBETHOXYPIPERIDINEDIHYDROCHLORIDE
AMMONIUM MOLYBDATE TS
2-O-乙酰基-5-硝酸异山梨酯
4-氯-4'-[8-(1,4-二恶-8-氮杂螺-[4.5]癸基)甲基]-2-氟苯甲酮
6-[4-(N-马来酰亚胺基甲基)环己烷]-1-羧酸琥珀酰亚胺酯
P-CRESOL-D3 (METHYL-D3)
Clevidipine Butyrate iMpurity Ⅵ
HEXAFLUOROARSENIC ACID POTASSIUM
5-[(3,4-Dimethoxyphenyl)methyl]-2-[4-[4-[5-[(3,4-dimethoxyphenyl)methyl]-3-phenyltetrazol-2-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3-phenyltetrazol-2-ium Dichloride