Basic information
- CAS
20225-24-5- Standard SMILES
CCCC(CC)C(=O)O- InChIKey
BAZMYXGARXYAEQ-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Overview
Alpha-ethyl valeric acid is a methyl-branched fatty acid.
Names & identifiers
- Preferred name
- 2-Ethylpentanoic acid
- IUPAC
- 2-ethylpentanoic acid
- English name
- 2-Ethylpentanoic acid
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
2-ETHYLPENTANOIC ACID20225-24-52-Ethylvaleric acid2-Ethyl-2-propylacetic acidJC688J0RH8DTXSID10875701RefChem:4720272-EPAADTXCID501013821243-608-3Pentanoic acid, 2-ethyl-Ethylpropylacetic acid
Show more names
α-Ethylvalericacid2-ethylvalericacidDivalproex sodium-2Valericacid,2-ethyl-α-ethyl valeric acid3-Hexanecarboxylicacidalpha-Ethylvaleric acid
MFCD022586502-ethyl-pentanoic acidalpha-ethyl valeric acidValproic Acid EP Impurity BSodium Valproate EP Impurity BPentanoicacid,2-ethyl-UNII-JC688J0RH8(+-)-2-n-Ethylpentanoic acid
Database identifiers
- CAS
20225-24-5- PubChem CID
- 30020
- DTXSID
DTXSID10875701- ChEMBL
CHEMBL4866386- ChEBI
CHEBI:180002- UNII
- JC688J0RH8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.9
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
SpringerMaterials PropertiesDensity
LogP2.23
Physicochemical properties
- Boiling point
- 213 ℃ · 213℃
- Density
- 0.911 g/cm3 · 0.911 g/cm3 (27 ºC)
- refractive index
- 1.4214 · 1.4214 (589.3 nm 25℃)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 1 · pK1:4.71 (20°C)
- form
- Oil
- color
- Clear Colourless
- FDA UNII
- 688 J0RH8 · JC688J0RH8
- UNSPSC Code
- 41116107 · 41116107
- NACRES
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-Ethylpentanoic Acid is a known metabolite and analog of valproic acid (V094750). Experimental results have shown potential acute anticonvulsant and toxic effects exhibited by 2-Ethylpentanoic Acid.
Suppliers89 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
1 records
Compound notes
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