Basic information
- CAS
72983-69-8- Standard SMILES
CCCC1CCC(OC(=O)c2ccc(C3CCC(CCC)CC3)cc2)CC1- InChIKey
DABPIGVWYIYREQ-RIYBONNASA-N- Molecular formula
- C25H38O2
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.28718045
Names & identifiers
- Preferred name
- Benzoic acid, 4-(trans-4-propylcyclohexyl)-, trans-4-propylcyclohexyl ester
- IUPAC
- (4-propylcyclohexyl) 4-(4-propylcyclohexyl)benzoate
- English name
- 4-propylcyclohexyl [trans(trans)]-4-(4-propylcyclohexyl)benzoate
- Molecular formula
- C25H38O2
- Molecular weight
- 370.57
Names & synonyms
72983-69-8Benzoic acid, 4-(trans-4-propylcyclohexyl)-, trans-4-propylcyclohexyl ester(1s,4R)-4-propylcyclohexyl 4-((1s,4R)-4-propylcyclohexyl)benzoate(1s,4r)-4-propylcyclohexyl 4-[(1s,4r)-4-propylcyclohexyl]benzoateEINECS 277-161-0Oprea1_024547SCHEMBL9649129SCHEMBL9649132SCHEMBL9649144DTXSID30888338DABPIGVWYIYREQ-RIYBONNASA-NDABPIGVWYIYREQ-UHFFFAOYSA-N
Show more names
4-propylcyclohexyl [trans(trans)]-4-(4-propylcyclohexyl)benzoate4-(4β-Propylcyclohexan-1α-yl)benzoic acid 4β-propylcyclohexan-1α-yl esterBenzoic acid,4-(trans-4-propylcyclohexyl)-, trans-4-propylcyclohexyl ester
trans-4-Propylcyclohexyl 4-trans-(4-propylcyclohexyl)benzoateNS001209104-Propylcyclohexyl (trans(trans))-4-(4-propylcyclohexyl)benzoate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 477.8 · 477.8±24.0 °C(Predicted)
- Density
- 1.151 g/cm3 · 1.151 g/cm3
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(trans-4-propylcyclohexyl)-, trans-4-propylcyclohexyl ester (72983-69-8)
- 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-propylcyclohexyl)-, trans-4-propylcyclohexyl ester: ACTIVE
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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