Basic information
- CAS
85005-56-7- Standard SMILES
CC(C)CCCCCc1ccccc1OCCO- InChIKey
SMCOUSXSTLPDQA-UHFFFAOYSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Names & identifiers
- Preferred name
- 2-(Isooctylphenoxy)ethanol
- IUPAC
- 2-[2-(6-methylheptyl)phenoxy]ethanol
- English name
- 2-(isooctylphenoxy)ethanol
- Molecular formula
- C16H26O2
- Molecular weight
- 250.37644
Names & synonyms
2-(Isooctylphenoxy)ethanol85005-56-7EINECS 284-988-0DTXSID50234055RefChem:84759DTXCID50156546284-988-0SCHEMBL178248SCHEMBL7185822SMCOUSXSTLPDQA-UHFFFAOYSA-N2-[2-(6-Methylheptyl)phenoxy]ethan-1-olNS00038731
Database identifiers
- CAS
85005-56-7- PubChem CID
- 44153182
- DTXSID
DTXSID50234055- EC Number
- 284-988-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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