(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadec-9-enoate

• ChemBase ID: 155798
• Molecular Formular: C24H44O6
• Molecular Mass: 428.60256
• Monoisotopic Mass: 428.31378913
• SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/t20-,21+,23+,24+/m0/s1
• InChIKey: NWGKJDSIEKMTRX-XWVZOOPGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadec-9-enoate
• IUPAC Traditional name: (2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadec-9-enoate
• Synonyms: Mannide monooleate; Span® 80; Sorbitan monooleate; Span® 80; Sorbitan monooleate; 司盘® 80; 单油酸脱水山梨糖醇酯; 单油酸脱水山梨糖醇酯; 司盘® 80

Database IDs

• CAS Number: 1338-43-8; 9049-98-3
• EC Number: 215-665-4
• MDL Number: MFCD03840565; MFCD00080948
• Beilstein Number: 8172514
• PubChem SID: 162249936; 24846351; 24888383
• PubChem CID: 13798888

CALCULATED PROPERTIES

• Acid pKa: 12.746294
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 4.8799543
• LogD (pH = 7.4): 4.8799524
• Log P: 4.8799543
• Molar Refractivity: 118.8035 cm^3
• Polarizability: 47.28733 Å^3
• Polar Surface Area: 96.22 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Flash Point: >113 °C; >235.4 °F
• Density: 0.986 g/mL at 25 °C(lit.); 0.99 g/mL at 20 °C
• Refractive Index: n20/D 1.48(lit.)
• Viscosity: 1200-2000 mPa.s(20 °C)
• Hydrophilic Lipophilic Balance: 4.3±1.0; 4.6±0.1

Safety Information

• RTECS: WG2932400
• German water hazard class: 1; 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Grade: for GC; SAJ first grade
• Description: non-ionic
• Biological Source: from plant
• Empirical Formula (Hill Notation): C24H44O6

DETAILS

Sigma Aldrich - M8819

Application
A non-ionic surface active emulsifier.
Biochem/physiol Actions
An emulsifying agent utilized in Freund′s incomplete adjuvant, although reactogenicity is an issue with human use.
Packaging
2.5 kg in glass bottle
25, 500 g in glass bottle

Sigma Aldrich - 09569

Application
A non-ionic surfactant that can be used to form oil-in-water emulsions and in combination with low HLB surfactants can form water-in-oil emulsions. EPA approved oil spill dispersant.
Legal Information
Span is a registered trademark of Croda International PLC

Sigma Aldrich - 85548

Application
A non-ionic surfactant that can be used to form oil-in-water emulsions and in combination with low HLB surfactants can form water-in-oil emulsions. EPA approved oil spill dispersant.
Legal Information
Span is a registered trademark of Croda International PLC

Sigma Aldrich - 28-4840

Legal Information
Span is a registered trademark of Croda International PLC