Basic information
- CAS
251983-54-7- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO- InChIKey
RZRNAYUHWVFMIP-UHFFFAOYSA-N- Molecular formula
- C21H40O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.29265975
Overview
2,3-Dihydroxypropyl octadec-9-enoate is a 1-monoglyceride.
Names & identifiers
- Preferred name
- 2,3-Dihydroxypropyl octadec-9-enoate
- IUPAC
- 2,3-dihydroxypropyl octadec-9-enoate
- English name
- 9-Octadecenoic acid, 2,3-dihydroxypropyl ester
- Molecular formula
- C21H40O4
- Molecular weight
- 356.54
Names & synonyms
2,3-dihydroxypropyl octadec-9-enoateRefChem:1059444Glycerin 1-monooleate9-Octadecenoicacid-,2,3-dihydroxypropylester251983-54-7Glycerol-1-oleate129784-87-8135378-08-41-(cis-9-Octadecenoyl)-rac-glycerolglycerol mono-oleate1-Monooleate glycerolSCHEMBL15604
Show more names
Monoelaidin((Z/E)Monoelaidin(Z/E)(C18:1)2,3-dihydroxypropyl 9-octadecenoate
DTXSID40859195CHEBI:18095833978-07-3KFA378082,3-Dihydroxypropyl-9-octadecenoateAKOS030228302FG167266NS00009429
Database identifiers
- CAS
251983-54-7- PubChem CID
- 33022
- DTXSID
DTXSID40859195- ChEBI
CHEBI:180958
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
CosmeticsPersonal care product
Physicochemical properties
- Boiling point
- 483.3 · 483.3±35.0 °C(Predicted)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- pka
- 13.16 · 13.16±0.20(Predicted)
Chemistry & industry
Suppliers3 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
南京佰瑞利康生物科技有限公司18168036974 · [email protected]
Additional notes
DefinitionChEBI: 2,3-Dihydroxypropyl octadec-9-enoate is a 1-monoglyceride.
Related reactions
2 records
Compound notes
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