2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl dodecanoate

• ChemBase ID: 132942
• Molecular Formular: C18H34O6
• Molecular Mass: 346.45896
• Monoisotopic Mass: 346.23553881
• SMILES: CCCCCCCCCCCC(=O)OCC([C@@H]1[C@@H]([C@H](CO1)O)O)O
• Canonical SMILES: CCCCCCCCCCCC(=O)OCC([C@H]1OC[C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3/t14-,15?,17+,18+/m0/s1
• InChIKey: LWZFANDGMFTDAV-WYDSMHRWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl dodecanoate
• IUPAC Traditional name: 2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl dodecanoate
• Synonyms: Span® 20; Sorbitan monolaurate; Span® 20; Sorbitan monolaurate; 脱水山梨醇单月桂酸酯; 脱水山梨醇单月桂酸酯

Database IDs

• CAS Number: 1338-39-2
• EC Number: 215-663-3
• MDL Number: MFCD00005365
• Beilstein Number: 8355657
• PubChem SID: 24899716; 162227219; 24888379
• PubChem CID: 16218599

CALCULATED PROPERTIES

• Acid pKa: 12.746294
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.5744638
• LogD (pH = 7.4): 2.574462
• Log P: 2.574464
• Molar Refractivity: 90.0809 cm^3
• Polarizability: 36.516968 Å^3
• Polar Surface Area: 96.22 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >113 °C; >235.4 °F
• Density: 1.032 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.474(lit.)
• Hydrophilic Lipophilic Balance: 8; 8.6±1.0

Safety Information

• RTECS: WG2920000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Description: non-ionic
• Empirical Formula (Hill Notation): C18H34O6

DETAILS

Sigma Aldrich - S6635

Other Notes
Fatty acid composition: Lauric acid (C12:0) ≥ 44%; balance primarily myristic (C14:0), palmitic (C16:0) and linolenic (C18:3) acids.
包装
1 L in glass bottle
250 mL in glass bottle
法律信息
Span 注册商标 Croda International PLC

Sigma Aldrich - 318213

Legal Information
Span is a registered trademark of Croda International PLC

Sigma Aldrich - 85544

Legal Information
Span is a registered trademark of Croda International PLC