Basic information
- CAS
2400-00-2- Standard SMILES
CCCCCCCCCC(CC)c1ccccc1- InChIKey
PGVOXXHNGYYHHB-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Names & identifiers
- Preferred name
- 3-Phenyldodecane
- IUPAC
- dodecan-3-ylbenzene
- English name
- 3-phenyldodecane
- Molecular formula
- C18H30
- Molecular weight
- 246.4308
Names & synonyms
dodecan-3-ylbenzeneBenzene, (1-ethyldecyl)-3-PHENYLDODECANEDodecane, 3-phenyl-EINECS 219-272-9DTXSID40862922RefChem:95328DTXCID30811621219-272-9PGVOXXHNGYYHHB-UHFFFAOYSA-N2400-00-2(1-Ethyldecyl)benzene
Show more names
NISTC24000021-(dodecan-3-yl)benzene
(Dodecan-3-yl)benzeneMFCD000938541-ETHYLDECYLBENZENE(1-Ethyldecyl)benzene #SCHEMBL983279SCHEMBL3097530SCHEMBL5563476SCHEMBL27567790
Database identifiers
- CAS
2400-00-2- PubChem CID
- 16979
- DTXSID
DTXSID40862922- EC Number
- 219-272-9
- Nikkaji
- J144.899D
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 ClassesAlkylbenzene
SpringerMaterials PropertiesDensity
LogP8.1
Physicochemical properties
- Boiling point
- 127 °C · 127 °C(Press: 0.8 Torr)
- Density
- 0.8466 g/cm3 · 0.8466 g/cm3(Temp: 30 °C)
- Henry's Law Constant
- 1.3 · 1.3×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- Benzene, (1-ethyldecyl)- (2400-00-2)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (1-ethyldecyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers5 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]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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