4-Heptylphenyl 4-heptylbenzoate
Basic information
- CAS
79606-06-7- Standard SMILES
CCCCCCCc1ccc(OC(=O)c2ccc(CCCCCCC)cc2)cc1- InChIKey
PWXQVCFBGSAERC-UHFFFAOYSA-N- Molecular formula
- C27H38O2
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 394.28718045
Names & identifiers
- Preferred name
- 4-Heptylphenyl 4-heptylbenzoate
- IUPAC
- (4-heptylphenyl) 4-heptylbenzoate
- English name
- 4-heptylphenyl 4-heptylbenzoate
- Molecular formula
- C27H38O2
- Molecular weight
- 394.59
Names & synonyms
4-Heptylphenyl 4-heptylbenzoate79606-06-7EINECS 279-195-1DTXSID301000620RefChem:99087DTXCID001427582279-195-1(4-heptylphenyl) 4-heptylbenzoateSCHEMBL8380722PWXQVCFBGSAERC-UHFFFAOYSA-NDB-3678114-Heptyl-benzoic acid 4-heptyl-phenyl ester
Show more names
4-n-Heptylphenyl 4-n-heptylbenzoate4-Heptylbenzoic acid 4-heptylphenyl esterBenzoic acid, 4-heptyl-, 4-heptylphenyl ester
NS00061233
Database identifiers
- CAS
79606-06-7- PubChem CID
- 3018844
- DTXSID
DTXSID301000620- EC Number
- 279-195-1
- Nikkaji
- J319.291A
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 509.2 · 509.2±39.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 4-heptyl-, 4-heptylphenyl ester
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…