butane-1,2-diol; ethane-1,2-diol; prop-2-en-1-ol

• ChemBase ID: 137934
• Molecular Formular: C9H22O5
• Molecular Mass: 210.26798
• Monoisotopic Mass: 210.1467238
• SMILES: CCC(CO)O.C=CCO.C(CO)O
• Canonical SMILES: CCC(CO)O.OCC=C.OCCO
• InChI: InChI=1S/C4H10O2.C3H6O.C2H6O2/c1-2-4(6)3-5;1-2-3-4;3-1-2-4/h4-6H,2-3H2,1H3;2,4H,1,3H2;3-4H,1-2H2
• InChIKey: YWFFJLGCRIVRQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butane-1,2-diol; ethane-1,2-diol; prop-2-en-1-ol
• IUPAC Traditional name: 1,2-butanediol; allyl alcohol; ethylene glycol
• Synonyms: Allyl alcohol 1,2-butoxylate-block-ethoxylate; 烯丙醇1,2-布托昔酯-嵌段-乙氧基化物

Database IDs

• MDL Number: MFCD00217128
• PubChem SID: 162232194; 24867123
• PubChem CID: 16212825

CALCULATED PROPERTIES

• Acid pKa: 14.274912
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.26958168
• LogD (pH = 7.4): -0.2695817
• Log P: -0.26958168
• Molar Refractivity: 23.4964 cm^3
• Polarizability: 9.358869 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 25 °C(lit.)
• Boiling Point: >149 °C(lit.)
• Flash Point: 113 °C; 235 °F
• Density: 1.01 g/mL at 25 °C
• Refractive Index: n20/D 1.461(lit.)
• Viscosity: 170 cP(60 °C)(lit.); 247 cP(50 °C)(lit.)
• Critical Micelle Concentration: 0.09 wt. %
• Hydrophilic Lipophilic Balance: 14; 6.9
• Organoleptic: 31.5 dynes/cm, 25 °C, 1.0 wt. %; 33.5 dynes/cm, 25 °C, 1.0 wt. %

Safety Information

• German water hazard class: 3

Product Information

• Linear Formula: H2C=CHCH2O[-CH2CH(C2H5)O-]x(-CH2CH2O-)yH

DETAILS

Sigma Aldrich - 433144

Application
Increases latex stability toward electrolytes, freeze-thaw cycling and mechanical stress.
Features and Benefits
Non-ionic, surface-active copolymerizable monomer. Chemically attaches to latex particles.

Sigma Aldrich - 433128

Application
Increases latex stability toward electrolytes, freeze-thaw cycling and mechanical stress.
Features and Benefits
Non-ionic, surface-active copolymerizable monomer. Chemically attaches to latex particles.