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Home> Encyclopedia >   /  Thickeners  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Other Organic Chemicals  /  Cosmetic Raw Materials
4-fluorooxolan-3-ol structure
4-fluorooxolan-3-ol structure

4-fluorooxolan-3-ol

Iupac Name:2,3-bis[[(Z)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z)-12-hydroxyoctadec-9-enoate
CAS No.:8001-79-4
Molecular Weight:933.45
1. Names and Identifiers
1.1 Name
4-fluorooxolan-3-ol
1.2 CAS No.
8001-79-4
1.3 CID
14030006
1.4 Molecular Formula
C16H26O3 (isomer)
1.5 Inchi
InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-
1.6 InChkey
ZEMPKEQAKRGZGQ-AAKVHIHISA-N
1.7 Canonical Smiles
CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)OC(=O)CCCCCCCC=CCC(CCCCCC)O)O
1.8 Isomers Smiles
CCCCCCC(O)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CC(O)CCCCCC)COC(=O)CCCCCCC/C=C\CC(O)CCCCCC
2. Properties
2.1 Melting Point
-12℃
2.2 Refractive Index
n20/D 1.478(lit.)
3. Safety and Handling
3.1 Safety Statements
S24/25
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:933.45g/mol
  • Molecular Formula:C16H26O3
  • Compound Is Canonicalized:True
  • Exact Mass:932.768
  • Monoisotopic Mass:932.768
  • Complexity:1110
  • Rotatable Bond Count:53
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:140A^2
  • Heavy Atom Count:66
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:3
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCI ACDSCAAAAAAgAAAICAEAAAgBEBIAAQACQAAFwAAKAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
7. Question & Answer
  • Castor oil is obtained from castor beans by pressing. This vegetable oil is colorless to pale yellow in color with a peculiar taste and smell. This chemical has a boiling point of 313 °C (595 °F) with a density of 961 kg/m3. About 90% of fatty acid chains are ricinoleates in this triglyceri...
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