Basic information
- CAS
1758-85-6- Standard SMILES
CCc1ccc(C)c(CC)c1- InChIKey
PZMJNJDRDKPVLB-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1,3-Diethyl-4-methylbenzene
- IUPAC
- 2,4-diethyl-1-methylbenzene
- English name
- 1,3-Diethyl-4-methylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
1,3-Diethyl-4-methylbenzene1758-85-62,4-DiethyltolueneToluene, 2,4-diethyl-UNII-I4U588TW2SI4U588TW2S1-METHYL-2,4-DIETHYLBENZENE1-Methyl-2,4-di-EthylbenzeneBenzene, 1,3-diethyl-4-methylDTXSID60170031RefChem:196782DTXCID6092522
Show more names
BENZENE,2,4-DIETHYL-1-METHYL-
PZMJNJDRDKPVLB-UHFFFAOYSA-N2,4-Diethyl-1-methylbenzeneBenzene, 2,4-diethyl-1-methyl-SCHEMBL169507SCHEMBL455613SCHEMBL720756SCHEMBL2467109SCHEMBL2467115
Database identifiers
- CAS
1758-85-6- PubChem CID
- 33044
- DTXSID
DTXSID60170031- UNII
- I4U588TW2S
- Nikkaji
- J437.526B
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- 205 °C · 205°C
- Density
- 0.8709 · 0.8709
- refractive index
- 1.5005 · 1.5005
- Henry's Law Constant
- 9.1 · 9.1×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 4 U588TW2S · I4U588TW2S
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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