Basic information
- CAS
13732-80-4- Standard SMILES
CCc1ccc(C)cc1CC- InChIKey
MJQJAQGFUBIGIK-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 3,4-Diethyltoluene
- IUPAC
- 1,2-diethyl-4-methylbenzene
- English name
- 1,2-DIETHYL-4-METHYLBENZENE
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
1,2-diethyl-4-methylbenzene3,4-Diethyltoluene13732-80-4Benzene, 1,2-diethyl-4-methyl-toluene, 3,4-diethyl-4KK85X9X7VRefChem:10657361-Methyl-3,4-diethylbenzeneUNII-4KK85X9X7V1-methyl-3,4-diethylbenzolSCHEMBL598593SCHEMBL607513
Show more names
SCHEMBL2470609SCHEMBL2472680SCHEMBL15063716SCHEMBL15063717SCHEMBL15063823DTXSID00275014AKOS006286624Q27259887
Database identifiers
- CAS
13732-80-4- PubChem CID
- 33047
- DTXSID
DTXSID00275014- UNII
- 4KK85X9X7V
- Nikkaji
- J437.528I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 203.6 °C · 203.6°C
- Density
- 0.8723 · 0.8723
- refractive index
- 1.5017 · 1.5017
- Henry's Law Constant
- 9.2 · 9.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 4 KK85X9X7V · 4KK85X9X7V
Chemistry & industry
Suppliers1 total
CHEMSAMPCO[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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