Basic information
- CAS
4536-88-3- Standard SMILES
CCCCCCCCCC(C)c1ccccc1- InChIKey
YHJBCRBYDBNEIK-UHFFFAOYSA-N- Molecular formula
- C17H28
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.21910089
Overview
(1-methyldecyl)-Benzene is a member of benzenes.
Names & identifiers
- Preferred name
- Benzene, (1-methyldecyl)-
- IUPAC
- undecan-2-ylbenzene
- English name
- Benzene,(1-methyldecyl)-
- Molecular formula
- C17H28
- Molecular weight
- 232.4
Names & synonyms
Benzene, (1-methyldecyl)-4536-88-3undecan-2-ylbenzeneDTXSID608749812PhenylundecaneRefChem:562073DTXCID6010131052-PHENYLUNDECANE(Undecan-2-yl)benzeneUndecane, 2-phenyl-(1-Methyldecyl)benzene2-phe-nylundecane
Show more names
2-phenyl undecane1-MethyldecylbenzeneBenzene,(1-methyldecyl)-
(1-methyldecyl)-Benzene(1-Methyldecyl)benzene #SCHEMBL508056SCHEMBL983089SCHEMBL20774452SCHEMBL27654305CHEBI:183285NS00095866
Database identifiers
- CAS
4536-88-3- PubChem CID
- 20656
- DTXSID
DTXSID60874981- ChEBI
CHEBI:183285- Nikkaji
- J144.895A
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
SpringerMaterials PropertiesDensity
LogP7.63
Vapor Pressure0.00155 [mmHg]
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 167 · 167-171 °C(Press: 12 Torr)
- Density
- 0.8622 g/cm3 · 0.8622 g/cm3(Temp: 21 °C)
- Henry's Law Constant
- 8.2 · 8.2×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- LogP
- 7.63 · 7.630
- EPA Substance Registry System
- 2 · 2-Phenylundecane (4536-88-3)
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]
Additional notes
DefinitionChEBI: (1-methyldecyl)-Benzene is a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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