Basic information
- CAS
72928-03-1- Standard SMILES
CCCC1CCC(OC(=O)c2ccc(C3CCC(CC)CC3)cc2)CC1- InChIKey
HDTDVUVMQFJBQI-BGYRUQQZSA-N- Molecular formula
- C24H36O2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.27153039
Names & identifiers
- Preferred name
- Benzoic acid, 4-(trans-4-ethylcyclohexyl)-, trans-4-propylcyclohexyl ester
- IUPAC
- (4-propylcyclohexyl) 4-(4-ethylcyclohexyl)benzoate
- English name
- [trans(trans)]-4-propylcyclohexyl 4-(4-ethylcyclohexyl)benzoate
- Molecular formula
- C24H36O2
- Molecular weight
- 356.54
Names & synonyms
72928-03-1Benzoic acid, 4-(trans-4-ethylcyclohexyl)-, trans-4-propylcyclohexyl esterEINECS 277-044-4trans-4-(4-Ethylcyclohexyl)benzoic acid, trans-4-propylcyclohexyl esterSCHEMBL11218950SCHEMBL11360313SCHEMBL11409508DTXSID60888301HDTDVUVMQFJBQI-BGYRUQQZSA-NHDTDVUVMQFJBQI-UHFFFAOYSA-NNS00121867(1s,4r)-4-Propylcyclohexyl 4-[(1r,4r)-4-ethylcyclohexyl]benzoate
Show more names
[trans(trans)]-4-propylcyclohexyl 4-(4-ethylcyclohexyl)benzoate4-(4β-Ethylcyclohexan-1α-yl)benzoic acid 4β-propylcyclohexan-1α-yl ester
(trans(trans))-4-Propylcyclohexyl 4-(4-ethylcyclohexyl)benzoate
Database identifiers
- CAS
72928-03-1- PubChem CID
- 175288
- DTXSID
DTXSID60888301- EC Number
- 277-044-4
- Nikkaji
- J296.386H
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 465.1 · 465.1±24.0 °C(Predicted)
- Density
- 1.23 g/cm3 · 1.230 g/cm3
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(trans-4-ethylcyclohexyl)-, trans-4-propylcyclohexyl ester (72928-03-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(trans-4-ethylcyclohexyl)-, trans-4-propylcyclohexyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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