Basic information
- CAS
72983-70-1- Standard SMILES
CCCCCC1CCC(c2ccc(C(=O)OC3CCC(CCC)CC3)cc2)CC1- InChIKey
PEXDPLSTNBSZFP-ZFUCAUIQSA-N- Molecular formula
- C27H42O2
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.31848058
Names & identifiers
- Preferred name
- Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester
- IUPAC
- (4-propylcyclohexyl) 4-(4-pentylcyclohexyl)benzoate
- English name
- trans-4-propylcyclohexyl trans-p-(4-pentylcyclohexyl)benzoate
- Molecular formula
- C27H42O2
- Molecular weight
- 398.62
Names & synonyms
72983-70-1Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester(1s,4R)-4-propylcyclohexyl 4-((1s,4R)-4-pentylcyclohexyl)benzoate(1s,4r)-4-propylcyclohexyl 4-[(1s,4r)-4-pentylcyclohexyl]benzoatetrans-4-Propylcyclohexyl trans-p-(4-pentylcyclohexyl)benzoateEINECS 277-162-6SCHEMBL103844374-PROPYLCYCLOHEXYL 4-(4-PENTYLCYCLOHEXYL)BENZOATEDTXSID90888339PEXDPLSTNBSZFP-UHFFFAOYSA-NPEXDPLSTNBSZFP-ZFUCAUIQSA-Ntrans-4-Propylcyclohexyl 4-trans-(4-pentylcyclohexyl)benzoate
Show more names
4-(4β-Pentylcyclohexan-1α-yl)benzoic acid 4β-propylcyclohexan-1α-yl ester4-(4α-Pentylcyclohexane-1β-yl)benzoic acid 4α-propylcyclohexane-1β-yl ester
AKOS001584200NS00059952SR-01000388852SR-01000388852-1
Database identifiers
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Boiling point
- 502.5 · 502.5±29.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester (72983-70-1)
- 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-pentylcyclohexyl)-, trans-4-propylcyclohexyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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