Decyl Gallate
Basic information
- CAS
19198-75-5- Standard SMILES
CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1- InChIKey
AOTRKUOCGUXQCY-UHFFFAOYSA-N- Molecular formula
- C17H26O5
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.17802393
Names & identifiers
- Preferred name
- Decyl Gallate
- IUPAC
- decyl 3,4,5-trihydroxybenzoate
- English name
- DECYL GALLATE
- Molecular formula
- C17H26O5
- Molecular weight
- 310.39
Names & synonyms
Decyl gallateDecyl 3,4,5-trihydroxybenzoateUNII-GJW1U497V5Benzoic acid, 3,4,5-trihydroxy-, decyl esterGJW1U497V5EINECS 242-871-1GALLIC ACID, DECYL ESTERDTXSID10172742RefChem:131365DTXCID20952333,4,5-Trihydroxy-benzoic acid decyl ester19198-75-5
Show more names
GALLIC ACID DECYL ESTER3,4,5-TRIHYDROXYBENZOIC ACID DECYL ESTER3,4,5-TRIHYDROXYBENZOIC ACID DECYL ESTER 97%
decylgallatDecyl-3,4,5-trihydroxybenzoateGallussaeuredecylesterSCHEMBL36930CHEMBL16101orb3236289EBC-07772FD75965
Database identifiers
- CAS
19198-75-5- PubChem CID
- 87956
- DTXSID
DTXSID10172742- ChEMBL
CHEMBL16101- UNII
- GJW1U497V5
- EC Number
- 242-871-1
- Nikkaji
- J224.878F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 94 · 94-95 °C
- Boiling point
- 501.8 · 501.8±45.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 7.93 · 7.93±0.25(Predicted)
- FDA UNII
- 1 U497V5 · GJW1U497V5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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