Basic information
- CAS
26997-02-4- Standard SMILES
CCCCCCCc1ccccc1O- InChIKey
FIWYWGLEPWBBQU-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 2-Heptylphenol
- IUPAC
- 2-heptylphenol
- English name
- 2-Heptylphenol
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
2-Heptylphenol5284-22-0DTXSID001031515RefChem:1063274DTXCID901377954HEPTYLPHENOL26997-02-4Phenol, heptyl-o-Heptylphenolo-n-HeptylphenolPhenol, o-heptyl-Phenol, 2-heptyl-
Show more names
n-heptylphenol2-heptyl-phenolBRN 2253374SCHEMBL184173SCHEMBL660368SCHEMBL4469886SCHEMBL27508810AKOS015917620
Database identifiers
- CAS
26997-02-4、5284-22-0- PubChem CID
- 33668
- DTXSID
DTXSID001031515- Nikkaji
- J141.391K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP4.45
Physicochemical properties
- Melting point
- 24 °C · 24°C (estimate)
- Boiling point
- 271.24 °C · 271.24°C (estimate)
- Density
- 0.9402 · 0.9402 (estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- Water Solubility
- 11.76 mg/L · 11.76mg/L(25 ºC)
- LogP
- 5.019 · 5.019 (est)
Chemistry & industry
Suppliers4 total
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]
湖北诺纳科技有限公司027-59209883 17386169806 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Related reactions
1 records
Compound notes
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