Basic information
- CAS
45158-84-7- Standard SMILES
CCCCCCCCCC(CC)C(=O)O- InChIKey
VZOMLDYIAWPSDV-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Overview
Undecanoic acid, 2-ethyl- has been reported in Opuntia ficus-indica with data available.
Names & identifiers
- Preferred name
- 2-Ethylundecanoic acid
- IUPAC
- 2-ethylundecanoic acid
- English name
- 2-Ethylundecanoic acid
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
2-Ethylundecanoic acidUndecanoic acid, 2-ethyl-EINECS 256-197-0DTXSID808858922-ethylundecanoateRefChem:87020DTXCID401025249256-197-0VZOMLDYIAWPSDV-UHFFFAOYSA-N45158-84-72-ethyl-undecanoic acidMFCD00061080
Show more names
Undecanoic acid,2-ethyl-ethylundecanoic acidSCHEMBL1704587SCHEMBL27842326SCHEMBL28009541VBA15884AKOS012708673NS00057494
Database identifiers
- CAS
45158-84-7- PubChem CID
- 170754
- DTXSID
DTXSID80885892- EC Number
- 256-197-0
- Nikkaji
- J319.947I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 307.44 °C · 307.44°C (estimate)
- Density
- 0.8466 · 0.8466 (rough estimate)
- refractive index
- 1.4274 · 1.4274 (estimate)
- pka
- 4.82 · 4.82±0.25(Predicted)
- EPA Substance Registry System
- 2 · Undecanoic acid, 2-ethyl- (45158-84-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationUndecanoic acid, 2-ethyl-: INACTIVE
Suppliers2 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…