Benzene, (1-ethylnonyl)-
Basic information
- CAS
4536-87-2- Standard SMILES
CCCCCCCCC(CC)c1ccccc1- InChIKey
NVHBFHMWJJMQTG-UHFFFAOYSA-N- Molecular formula
- C17H28
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.21910089
Names & identifiers
- Preferred name
- Benzene, (1-ethylnonyl)-
- IUPAC
- undecan-3-ylbenzene
- English name
- 3-phenylundecane
- Molecular formula
- C17H28
- Molecular weight
- 232.4
Names & synonyms
3-PhenylundecaneBenzene, (1-ethylnonyl)-Undecane, 3-phenyl-DTXSID208749823PhenylundecaneRefChem:117262DTXCID301013106NVHBFHMWJJMQTG-UHFFFAOYSA-Nundecan-3-ylbenzene4536-87-2(Undecan-3-yl)benzene(1-Ethylnonyl)benzene #
Show more names
undecane-3-phenyl(1-Ethylnonyl)benzene
SCHEMBL982661SCHEMBL3390551SCHEMBL6679949SCHEMBL28188782NS00095915H59411
Database identifiers
- CAS
4536-87-2- PubChem CID
- 20655
- DTXSID
DTXSID20874982- Nikkaji
- J144.894C
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Aromatic Hydrocarbons
Alkylbenzene
LogP7.53
Physicochemical properties
- Boiling point
- 306.5 · 306.5±9.0 °C(Predicted)
- Density
- 0.855 · 0.855±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 9 · 9.0×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 3 · 3-Phenylundecane (4536-87-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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Related reactions
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Compound notes
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