Basic information
- CAS
2719-62-2- Standard SMILES
CCCCCCC(CCCCC)c1ccccc1- InChIKey
ZYHJQFMTTFCBKH-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Overview
6-phenyldodecane is an alkylbenzene comprising dodecane substituted at position 6 by a phenyl group.
Names & identifiers
- Preferred name
- 6-Phenyldodecane
- IUPAC
- dodecan-6-ylbenzene
- English name
- 6-phenyldodecane
- Molecular formula
- C18H30
- Molecular weight
- 246.43
Names & synonyms
6-PHENYLDODECANEdodecan-6-ylbenzeneBenzene, (1-pentylheptyl)-Dodecane, 6-phenyl-alpha-pentylheptylbenzeneEINECS 220-325-3CHEBI:77516DTXSID70875106RefChem:105231Benzene, (1pentylheptyl)DTXCID101013229220-325-3
Show more names
1-(dodecan-6-yl)benzeneBENZENE,(1-PENTYLHEPTYL)-
ZYHJQFMTTFCBKH-UHFFFAOYSA-N2719-62-2(dodecan-6-yl)benzene(1-Pentylheptyl)benzene1-pentylheptylbenzeneMFCD00093857(1-Pentylheptyl)benzene #SCHEMBL983413
Database identifiers
- CAS
2719-62-2- PubChem CID
- 17629
- DTXSID
DTXSID70875106- ChEBI
CHEBI:77516- EC Number
- 220-325-3
- Nikkaji
- J144.896J
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
- 108 °C · 108 °C(Press: 0.4 Torr)
- Density
- 0.8477 g/cm3 · 0.8477 g/cm3(Temp: 30 °C)
- Henry's Law Constant
- 6 · 6.0×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 6 · 6-Phenyldodecane (2719-62-2)
- 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
Upstream raw materials
Downstream products
Suppliers10 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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