Basic information
- CAS
4920-99-4- Standard SMILES
CCc1cccc(C(C)C)c1- InChIKey
GSLSBTNLESMZTN-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1-Ethyl-3-isopropylbenzene
- IUPAC
- 1-ethyl-3-propan-2-ylbenzene
- English name
- 1-Ethyl-3-iso-propylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
4920-99-41-Ethyl-3-isopropylbenzeneRefChem:1055433Cumene, m-ethyl-m-EthylcumeneBenzene, 1-ethyl-3-(1-methylethyl)-1-ethyl-3-propan-2-ylbenzene1-ethyl-3-iso-propylbenzene1-ethyl-3-(propan-2-yl)benzene1-ethyl-3-i-propylbenzeneSCHEMBL169450SCHEMBL598569
Show more names
3-ethylcumenecumene,m-ethyl-1-Isopropyl-3-ethylbenzeneBENZENE,1-ETHYL-3-(1-METHYLE1-ethyl-3-propan-2-yl-benzene1-ethyl-3-(1-methyl-ethyl)-benzenebenzene,1-ethyl-3-(1-methylethyl)-
SCHEMBL820229orb1986241SCHEMBL1777142SCHEMBL2921663SCHEMBL2921664SCHEMBL4459369SCHEMBL7498478DTXSID0074712
Database identifiers
- CAS
4920-99-4- PubChem CID
- 21030
- DTXSID
DTXSID0074712- Nikkaji
- J103.233J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 192 °C · 192°C
- Density
- 0.855 · 0.8550
- refractive index
- 1.49 · 1.4900
- Henry's Law Constant
- 9.6 · 9.6×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 1 · Benzene, 1-ethyl-3-(1-methylethyl)- (4920-99-4)
Chemistry & industry
Suppliers5 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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