Basic information
- CAS
15234-85-2- Standard SMILES
CCCCCCCCc1ccc(OCC(=O)O)cc1- InChIKey
DWUYSEMDJQMICY-UHFFFAOYSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Names & identifiers
- Preferred name
- Acetic acid, (4-octylphenoxy)-
- IUPAC
- 2-(4-octylphenoxy)acetic acid
- English name
- 4-Octylphenoxy-acetic acid
- Molecular formula
- C16H24O3
- Molecular weight
- 264.36
Names & synonyms
15234-85-2Acetic acid, (4-octylphenoxy)-4-Octylphenoxy acetic acidDTXSID60165003RefChem:316274DTXCID00874942-(4-octylphenoxy)acetic acid4-OCTYLPHENOXY-ACETIC ACID(4-OCTYLPHENOXY)ACETIC ACIDp-octyl-phenoxy-acetic acidSCHEMBL5696314XH1553
Show more names
OP1ECAcetic acid, 2-(4-octylphenoxy)-
AKOS003608626NS00001233
Database identifiers
- CAS
15234-85-2- PubChem CID
- 27145
- DTXSID
DTXSID60165003- Nikkaji
- J592.105H
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 92 · 92-93 °C
- Boiling point
- 393.2 · 393.2±17.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- pka
- 3.22 · 3.22±0.10(Predicted)
Chemistry & industry
Suppliers6 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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