Basic information
- CAS
20103-35-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)COC(CCCCCCCCCCCCCCCCC)=N1- InChIKey
DWWUGXOZBYVGJN-UHFFFAOYSA-N- Molecular formula
- C40H77NO4
- Average molar mass
- 636 g/mol
- Monoisotopic mass
- 635.58525994
Names & identifiers
- Preferred name
- Octadecanoic acid, [2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl]methyl ester
- IUPAC
- [2-heptadecyl-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methyl octadecanoate
- English name
- [2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl stearate
- Molecular formula
- C40H77NO4
- Molecular weight
- 636.04
Names & synonyms
EINECS 243-516-3DTXSID20885114Stearic acid, (2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl)methyl ester(2-Heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl)methyl stearateOctadecanoic acid, (2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl)methyl esterOctadecanoic acid, [2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl]methyl ester[2-Heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl]methyl stearateRefChem:855542DTXCID90102451520103-35-9[2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl stearate(2-Heptadecyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl)methyl stearate
Show more names
Octadecanoic acid [[2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-oxazol]-4-yl]methyl ester
SCHEMBL9585675DWWUGXOZBYVGJN-UHFFFAOYSA-N[2-heptadecyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl octadecanoateNS00050623
Properties
Computed structural properties
- XLogP
- 15.7
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 36
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 681
Physicochemical properties
- Boiling point
- 675.7 · 675.7±20.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.10(Predicted)
- EPA Substance Registry System
- 2 · [2-Heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl]methyl stearate (20103-35-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, [2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)-4-oxazolyl]methyl ester: INACTIVE
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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