Basic information
- CAS
111-59-1- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCC- InChIKey
BVWMJLIIGRDFEI-UHFFFAOYSA-N- Molecular formula
- C21H40O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.30283051
Overview
See also: Propyl oleate (annotation moved to).
Names & identifiers
- Preferred name
- Propyl octadec-9-enoate
- IUPAC
- propyl octadec-9-enoate
- English name
- Propyl oleate
- Molecular formula
- C21H40O2
- Molecular weight
- 324.54
Names & synonyms
propyl octadec-9-enoateOLEIC ACID PROPYL ESTERSCHEMBL161988DTXSID0059405DB-040993N-PROPYL OLEATEAi3-26171Nsc 50932Emery 2302propylesterEmery@ 2302Propyl oleate
Show more names
Einecs 203-885-3PROPYL 9-OCTADECENOATE
Database identifiers
- CAS
111-59-1- PubChem CID
- 66076
- DTXSID
DTXSID0059405
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- -32.8 °C · -32.8 °C
- Boiling point
- 216 · 216-220 °C(Press: 14 Torr)
- Density
- 0.8699 g/cm3 · 0.8699 g/cm3(Temp: 15 °C)
- Pour Point
- -26 · -26
- vapor pressure
- 0.021 Pa · 0.021Pa at 20℃
- refractive index
- 1.4494 · 1.4494
- Flash point
- 330 · 330
- storage temp.
- 20 °C · −20°C
- form
- liquid
- Water Solubility
- 2.83 μg/L · 2.83μg/L at 20℃
- LogP
- 6.2 at · 6.2 at 40℃
- Indirect Additives used in Food Contact Substances
- PROPYL OLEATE
- FDA UNII
- 4.05963 e+223 · 4.05963e+223
- EPA Substance Registry System
- 9 · 9-Octadecenoic acid (9Z)-, propyl ester (111-59-1)
- WGK Germany
- 3 · 3
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
- wgk
- 3
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesPropyl (Z)-9-Octadecanoate is prepared using imidazolium catalysts. Also prepared as a cheap and renewable raw material for organic synthesis via metabolic engineering of Escherichia coli.
Suppliers17 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
泰安鑫润生物科技有限公司15318133072 15318133072 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
SHANDONG ZHI SHANG CHEMICAL CO.LTD0531-68652808 18953170293 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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