Basic information
- CAS
7170-44-7- Standard SMILES
O=C(O)CCCCCCCCCCOc1ccccc1- InChIKey
FRSQLPPSRJNREN-UHFFFAOYSA-N- Molecular formula
- C17H26O3
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.18819469
Names & identifiers
- Preferred name
- 11-Phenoxyundecanoic acid
- IUPAC
- 11-phenoxyundecanoic acid
- English name
- 11-Phenoxyundecanoic acid
- Molecular formula
- C17H26O3
- Molecular weight
- 278.39
Names & synonyms
11-Phenoxyundecanoic acid7170-44-7EINECS 230-520-5DTXSID70221922NSC 408534RefChem:78007DTXCID00144413230-520-5FRSQLPPSRJNREN-UHFFFAOYSA-NUndecanoic acid, 11-phenoxy-NSC40853411-phenoxy undecanoic acid
Show more names
11-Phenoxyundecanoic acid,99%
11-phenoxy-undecanoic acidSCHEMBL50355211-Phenoxyundecanoic acid, 97%SBB012492AKOS015893929NSC-408534DA-03323ST072195
Database identifiers
- CAS
7170-44-7- PubChem CID
- 81597
- DTXSID
DTXSID70221922- EC Number
- 230-520-5
- Nikkaji
- J143.335K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 77 · 77-78 °C(lit.)
- Boiling point
- 217 · 217-222 °C3 mm Hg(lit.)
- Density
- 1.0352 · 1.0352 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- solubility
- 25 mg/mL, · chloroform: soluble25mg/mL, clear (Colorless to orange)
- pka
- 4.78 · 4.78±0.10(Predicted)
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Applications
Uses11-Phenoxyundecanoic Acid can be used to treat tuberculosis.
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
15 records
Compound notes
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