Basic information
- CAS
1069-87-0- Standard SMILES
CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC- InChIKey
ZQBULZYTDGUSSK-UHFFFAOYSA-N- Molecular formula
- C19H36O5
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.25627424
Names & identifiers
- Preferred name
- Glyceryl 1,2-dicaprylate
- IUPAC
- (3-hydroxy-2-octanoyloxypropyl) octanoate
- English name
- 1,2-dioctanoylglycerol
- Molecular formula
- C19H36O5
- Molecular weight
- 344.49
Names & synonyms
1069-87-0MONOCTANOIN COMPONENT Cglyceryl 1,2-dicaprylateGlyceryl-1,2-dicaprylateSA9937IP23Octanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl esterRefChem:10859281,2-Dioctanoylglyceroldioctanoin36354-80-03-Hydroxypropane-1,2-diyl dioctanoate1,2-Dioctanoyl-rac-glycerol
Show more names
Caprylic Acid Impurity 451-O,2-O-DioctanoylglycerolZQBULZYTDGUSSK-UHFFFAOYSA-N1-O,2-O-Dioctanoyl-sn-glycerol2,3-Bis(octanoyloxy)-1-propanolDioctanoic acid 3-hydroxy-1,2-propanediyl esterOctanoic acid, 1,1'-[1-(hydroxymethyl)-1,2-ethanediyl] ester
(3-hydroxy-2-octanoyloxypropyl) octanoateOctanoic acid,1,1'-[1-(hydroxymethyl)-1,2-ethanediyl] ester1,2-DioctanoindiC8.glycerol dicaprylate1,2-DicapryloylglycerolUNII-SA9937IP23Octanoin, 1,2-di-
Database identifiers
- CAS
1069-87-0、36354-80-0- PubChem CID
- 1323
- DTXSID
DTXSID00910175- ChEMBL
CHEMBL24609- UNII
- SA9937IP23
- Nikkaji
- J118.318D
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 429.1 · 429.1±12.0 °C(Predicted)
- Density
- 0.9766 g/cm3 · 0.9766 g/cm3
- pka
- 13.7 · 13.70±0.10(Predicted)
- FDA UNII
- 9937 IP23 · SA9937IP23
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
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上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
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上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
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Compound notes
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