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Substance Name: 2-Ethylbutyric acid
RN: 88-09-5
UNII: IDY8B990KE
InChIKey: OXQGTIUCKGYOAA-UHFFFAOYSA-N
Molecular Formula
- C6-H12-O2
Molecular Weight
- 116.159
- All
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Results Name
- 2-Ethylbutyric acid
Name of Substance
- 2-Ethylbutyric acid
Synonyms
- 2-Ethyl butanoic acid
- 2-Ethylbutanoic acid
- 2-Ethylbutyric acid
- 3-Pentanecarboxylic acid
- 4-02-00-00950 (Beilstein Handbook Reference)
- Acetic acid, diethyl-
- AI3-04629
- alpha-Ethylbutyric acid
- alpha-Ethylbuytyric acid
- BRN 1098634
- Butanoic acid, 2-ethyl-
- Butyric acid, 2-ethyl-
- Diethylacetic acid
- EINECS 201-796-4
- FEMA No. 2429
- Kyselina diethyloctova
- Kyselina diethyloctova [Czech]
- NSC 11765
- UNII-IDY8B990KE
Systematic Names
- 2-Ethylbutyric acid
- Butanoic acid, 2-ethyl-
- Butyric acid, 2-ethyl-
Superlist Names
- 2-Ethylbutyric acid
- Butanoic acid, 2-ethyl-
Registry Numbers
CAS Registry Number
- 88-09-5
FDA UNII
- IDY8B990KE
Other Registry Number
- 134331-89-8
System Generated Number
- 0000088095
Structure Descriptors
InChI
InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)InChIKey
OXQGTIUCKGYOAA-UHFFFAOYSA-NSmiles
CCC(CC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 520uL/kg (0.52mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | oral | 2200mg/kg (2200mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.18E+01 | deg C | EXP | |
| Boiling Point | 194 | deg C | EXP | |
| pKa Dissociation Constant | 4.71 | (none) | 20 | EXP |
| log P (octanol-water) | 1.68 | (none) | EXP | |
| Water Solubility | 1.80E+04 | mg/L | 20 | EXP |
| Vapor Pressure | 0.188 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.60E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 5.35E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.