Basic information
- CAS
2719-61-1- Standard SMILES
CCCCCCCCCCC(C)c1ccccc1- InChIKey
VRPRIAVYSREHAN-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Names & identifiers
- Preferred name
- 2-Phenyldodecane
- IUPAC
- dodecan-2-ylbenzene
- English name
- Benzene,(1-methylundecyl)-
- Molecular formula
- C18H30
- Molecular weight
- 246.43
Names & synonyms
2-PHENYLDODECANEBenzene, (1-methylundecyl)-dodecan-2-ylbenzeneDodecane, 2-phenyl-DTXSID50875104RefChem:89067Benzene, (1methylundecyl)DTXCID701013227VRPRIAVYSREHAN-UHFFFAOYSA-N2719-61-1(Dodecan-2-yl)benzene(1-Methylundecyl)benzene
Show more names
1-Methylundecylbenzene(R,S)-C10-2-LAB isomer(2R*)-2-PhenyldodecaneBenzene,(1-methylundecyl)-
2-phenyl dodecane(1-Methylundecyl)benzene #SCHEMBL1581395SCHEMBL1581397SCHEMBL2958747SCHEMBL10746726SCHEMBL10989395SCHEMBL20775441
Database identifiers
- CAS
2719-61-1- PubChem CID
- 17628
- DTXSID
DTXSID50875104- Nikkaji
- J144.900A
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Aromatic Hydrocarbons
Alkylbenzene
SpringerMaterials PropertiesDensity
LogP8.19
Vapor Pressure0.000584 [mmHg]
Physicochemical properties
- Boiling point
- 143 °C · 143 °C(Press: 1.8 Torr)
- Density
- 0.8488 g/cm3 · 0.8488 g/cm3(Temp: 30 °C)
- Henry's Law Constant
- 1.1 · 1.1×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 2 · 2-Phenyldodecane (2719-61-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Undecylbenzene.
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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