Basic information
- CAS
2719-63-3- Standard SMILES
CCCCCCCC(CCCC)c1ccccc1- InChIKey
NPAWGLOPXKCTCV-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Overview
5-phenyldodecane is an alkylbenzene comprising dodecane substituted at position 5 by a phenyl group.
Names & identifiers
- Preferred name
- 5-Phenyldodecane
- IUPAC
- dodecan-5-ylbenzene
- English name
- 5-phenyldodecane
- Molecular formula
- C18H30
- Molecular weight
- 246.43
Names & synonyms
5-Phenyldodecanedodecan-5-ylbenzeneBenzene, (1-butyloctyl)-Dodecane, 5-phenyl-(1-BUTYLOCTYL)BENZENEEINECS 220-326-9CHEBI:77515DTXSID30875107a-ButyloctylbenzeneBenzene, (1butyloctyl)RefChem:103393DTXCID401013230
Show more names
dodecane-5-phenylBENZENE,(1-BUTYLOCTYL)-
220-326-9NPAWGLOPXKCTCV-UHFFFAOYSA-N2719-63-3(Dodecan-5-yl)benzenealpha-butyloctylbenzene(1-Butyloctyl)benzene #SCHEMBL983960SCHEMBL3092233
Database identifiers
- CAS
2719-63-3- PubChem CID
- 17630
- DTXSID
DTXSID30875107- ChEBI
CHEBI:77515- EC Number
- 220-326-9
- Nikkaji
- J144.897H
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
LogP8.01
Vapor Pressure0.000584 [mmHg]
Physicochemical properties
- Boiling point
- 113 °C · 113 °C(Press: 0.4 Torr)
- Density
- 0.8485 g/cm3 · 0.8485 g/cm3(Temp: 30 °C)
- Henry's Law Constant
- 7.8 · 7.8×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- Benzene, (1-butyloctyl)- (2719-63-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: An alkylbenzene comprising dodecane substituted at position 5 by a phenyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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