Basic information
- CAS
4621-36-7- Standard SMILES
CCCCCCCC(CC)c1ccccc1- InChIKey
PYVIFMPVFLOTLN-UHFFFAOYSA-N- Molecular formula
- C16H26
- Average molar mass
- 218.38 g/mol
- Monoisotopic mass
- 218.20345083
Overview
3-phenyldecane is a member of the class of benzenes that is benzene substituted by a decan-3-yl group. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 3-Phenyldecane
- IUPAC
- decan-3-ylbenzene
- English name
- 3-phenyldecane
- Molecular formula
- C16H26
- Molecular weight
- 218.38
Names & synonyms
3-Phenyldecane4621-36-7Benzene, (1-ethyloctyl)-decan-3-ylbenzeneCHEBI:87601DTXSID70874871RefChem:1068487DTXCID601012995(decan-3-yl)benzeneDecane, 3-phenyl-(1-ETHYLOCTYL)BENZENEBenzene,(1-ethyloctyl)-
Show more names
(3-Decyl)benzeneSCHEMBL982809SCHEMBL6162603SCHEMBL6682169SCHEMBL17183749SCHEMBL17183751SCHEMBL28188186NS00095865
Database identifiers
- CAS
4621-36-7- PubChem CID
- 20740
- DTXSID
DTXSID70874871- ChEBI
CHEBI:87601- Nikkaji
- J144.889G
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
LogP7.0
Physicochemical properties
- Boiling point
- 289.1 · 289.1±7.0 °C(Predicted)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.1 · 1.1×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 3 · 3-Phenyldecane (4621-36-7)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of benzenes that is benzene substituted by a decan-3-yl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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