Registration Dossier
Registration Dossier
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EC number: 250-705-4 | CAS number: 31566-31-1
Reference substances
- IUPAC name:
- stearic acid, monoester with glycerol
Inventory
- EC number:
- 250-705-4
- EC name:
- Stearic acid, monoester with glycerol
- CAS number:
- 31566-31-1
- CAS number:
- 31566-31-1
Synonyms
- Names:
- Octadecanoic acid, monoester with 1,2,3-propanetriol
- Identifier:
- CAS number
- 31566-3-1
- Identifier:
- IUPAC name
- 1,3-dihydroxypropan-2-yl octadecanoate 2,3-dihydroxypropyl octadecanoate
- Identifier:
- IUPAC name
- 1,3-dihydroxypropan-2-yl octadecanoate; 2,3-dihydroxypropyl octadecanoate
- Identifier:
- IUPAC name
- 2-hydroxy-1-(hydroxymethyl)ethyl stearate
- Identifier:
- IUPAC name
- Glycerol monostearate; GMS
- Identifier:
- IUPAC name
- Stearic acid, monoester with glycerol
- Identifier:
- other: InChl
- 1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
- Identifier:
- other: InChl
- 1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
- Identifier:
- other: Molecular formula
- As the substance is UVCB, it can't be represented by any molecular formula or structure.
- Identifier:
- other: SMILES notation
- C(CC(OC[C@@H](CO)O)=O)CCCCCCCCCCCCCCC
- Identifier:
- other: Molecular formula
- C42H84O8
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Identifier:
- other: SMILES notation
- Example for glycerol-1-stearate (component) CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
- Identifier:
- other: InChl
- Example for glycerol-1-stearate (component) InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
- Identifier:
- other: InChl
- InChI=1/2C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h2*20,22-23H,2-19H2,1H3
- Identifier:
- other: InChl
- InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
- Identifier:
- other: InChl
- InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
- Identifier:
- other: SMILES notation
- O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC
Molecular and structural information
- Molecular formula:
- C21H42O4
- Molecular weight:
- > 330.49 - < 891.47
- SMILES notation:
- Example for glycerol-1-stearate (component)
CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO - InChl:
- Example for glycerol-1-stearate (component)
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3 - Structural formula:
Related substances
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