2-Ethyl-3-methylbutanoic acid
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Basic information
- CAS
32444-32-9- Standard SMILES
CCC(C(=O)O)C(C)C- InChIKey
XJCPTWKSNPIJRN-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 2-Ethyl-3-methylbutanoic acid
- IUPAC
- 2-ethyl-3-methylbutanoic acid
- English name
- 2-ETHYL-3-METHYLBUTANOIC ACID
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
2-ETHYL-3-METHYLBUTANOIC ACID32444-32-9DTXSID40449494RefChem:260526DTXCID10400315826-679-02-ETHYL-3-METHYLBUTANOICACIDSCHEMBL112582SCHEMBL2770242-ethyl-3-methyl butanoic acidXJCPTWKSNPIJRN-UHFFFAOYSA-NHBA44432
Show more names
2-ethyl-3-methyl-butyric acidButanoicacid, 2-ethyl-3-methyl-
AKOS010365345DB-217327EN300-259964G40320
Database identifiers
- CAS
32444-32-9- PubChem CID
- 10953545
- DTXSID
DTXSID40449494- EC Number
- 826-679-0
- Nikkaji
- J1.083.626C
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- LogP
- 1.914 · 1.914 (est)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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