Basic information
- CAS
72928-32-6- Standard SMILES
CCCC(=O)Oc1ccc(C2CCC(CCC)CC2)cc1- InChIKey
SBQJMHWEPWADHS-WKILWMFISA-N- Molecular formula
- C19H28O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.20893013
Names & identifiers
- Preferred name
- Butanoic acid, 4-(trans-4-propylcyclohexyl)phenyl ester
- IUPAC
- [4-(4-propylcyclohexyl)phenyl] butanoate
- English name
- trans-4-(4-propylcyclohexyl)phenyl butyrate
- Molecular formula
- C19H28O2
- Molecular weight
- 288.43
Names & synonyms
72928-32-6Butanoic acid, 4-(trans-4-propylcyclohexyl)phenyl estertrans-4-(4-Propylcyclohexyl)phenyl butyrateEINECS 277-065-94-[(1s,4r)-4-propylcyclohexyl]phenyl butanoateSCHEMBL9457304SCHEMBL9457308DTXSID70888317SBQJMHWEPWADHS-UHFFFAOYSA-NSBQJMHWEPWADHS-WKILWMFISA-NNS000606484-pentylcyclohexyl trans-4'-pentylcyclohexylcarbonate
Show more names
Butyric acid trans-4-(4-propylcyclohexyl)-phenyl esterButanoic acid 4-(4β-propylcyclohexan-1α-yl)phenyl ester4-(4-propylcyclohexyl)phenyl ester, trans-butanoic acid
Database identifiers
- CAS
72928-32-6- PubChem CID
- 175304
- DTXSID
DTXSID70888317- EC Number
- 277-065-9
- Nikkaji
- J296.402C
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 388.821 · 388.821±21.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EPA Substance Registry System
- 4 · Butanoic acid, 4-(trans-4-propylcyclohexyl)phenyl ester (72928-32-6)
- 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 InformationButanoic acid, 4-(trans-4-propylcyclohexyl)phenyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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