Myristyl gallate
Basic information
- CAS
18244-73-0- Standard SMILES
CCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1- InChIKey
BQWQGCZOPQEUIQ-UHFFFAOYSA-N- Molecular formula
- C21H34O5
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.24062419
Names & identifiers
- Preferred name
- Myristyl gallate
- IUPAC
- tetradecyl 3,4,5-trihydroxybenzoate
- English name
- MYRISTYL GALLATE
- Molecular formula
- C21H34O5
- Molecular weight
- 366.49
Names & synonyms
myristyl gallateTetradecyl 3,4,5-trihydroxybenzoatetetradecyl gallateEINECS 242-118-7UNII-88H62MZX2P88H62MZX2PDTXSID701712963,4,5-TRIHYDROXYBENZOIC ACID TETRADECYL ESTERRefChem:160430DTXCID309378718244-73-0Benzoic acid, 3,4,5-trihydroxy-, tetradecyl ester
Show more names
Gallic acid tetradecyl esterMYRISTYL-3,4,5-TRIHYDROXYBENZOATETETRADECYL-3,4,5-TRIHYDROXYBENZOATE
Gallic acid, tetradecyl ester (6CI,7CI,8CI); 1-Tetradecanol, gallate (8CI); Tetradecyl gallate; Tetradecyl 3,4,5-trihydroxybenzoateSCHEMBL221375CHEMBL494182FM70373NS00026004Q27269932
Database identifiers
- CAS
18244-73-0- PubChem CID
- 87524
- DTXSID
DTXSID70171296- ChEMBL
CHEMBL494182- UNII
- 88H62MZX2P
- EC Number
- 242-118-7
- Nikkaji
- J169.176G
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 98 · 98 - 100°C
- Boiling point
- 542.1 · 542.1±45.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.93 · 7.93±0.25(Predicted)
- color
- White to Off-White
- FDA UNII
- 88 H62MZX2P · 88H62MZX2P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesMyristyl Gallate has been studied for antimetastatic activity and low systemic toxicity in a melanoma mouse model.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…