Basic information
- CAS
52899-27-1- Standard SMILES
CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CCCC)cc3C#N)cc2)cc1- InChIKey
LUFFCZRQCYEJQL-UHFFFAOYSA-N- Molecular formula
- C31H33NO5
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.23587315
Names & identifiers
- Preferred name
- 4-((4-Butyl-2-cyanophenoxy)carbonyl)phenyl 4-(hexyloxy)benzoate
- IUPAC
- [4-(4-butyl-2-cyanophenoxy)carbonylphenyl] 4-hexoxybenzoate
- English name
- 4-[(4-butyl-2-cyanophenoxy)carbonyl]phenyl 4-(hexyloxy)benzoate
- Molecular formula
- C31H33NO5
- Molecular weight
- 499.6
Names & synonyms
EINECS 258-244-04-((4-Butyl-2-cyanophenoxy)carbonyl)phenyl 4-(hexyloxy)benzoate4-[(4-BUTYL-2-CYANOPHENOXY)CARBONYL]PHENYL 4-(HEXYLOXY)BENZOATEBenzoic acid, 4-(hexyloxy)-, 4-[(4-butyl-2-cyanophenoxy)carbonyl]phenyl esterDTXSID50688154-(4-n-Hexyloxybenzoyloxy)benzoic acid-, (2-cyano-4-n-butylphenyl)esterBenzoic acid, 4-(hexyloxy)-, 4-((4-butyl-2-cyanophenoxy)carbonyl)phenyl esterRefChem:286396DTXCID4041315258-244-052899-27-1SCHEMBL9853899
Show more names
p-[p-(Hexyloxy)benzoyloxy]benzoic acid 4-butyl-2-cyanophenyl ester
LUFFCZRQCYEJQL-UHFFFAOYSA-NNS00032608
Database identifiers
- CAS
52899-27-1- PubChem CID
- 104352
- DTXSID
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 729
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(hexyloxy)-, 4-[(4-butyl-2-cyanophenoxy)carbonyl]phenyl ester (52899-27-1)
- 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-(hexyloxy)-, 4-[(4-butyl-2-cyanophenoxy)carbonyl]phenyl ester: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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