butan-1-ol; ethane-1,2-diol; propane-1,2-diol

• ChemBase ID: 132610
• Molecular Formular: C9H24O5
• Molecular Mass: 212.28386
• Monoisotopic Mass: 212.16237387
• SMILES: CCCCO.CC(CO)O.C(CO)O
• Canonical SMILES: OCC(O)C.CCCCO.OCCO
• InChI: InChI=1S/C4H10O.C3H8O2.C2H6O2/c1-2-3-4-5;1-3(5)2-4;3-1-2-4/h5H,2-4H2,1H3;3-5H,2H2,1H3;3-4H,1-2H2
• InChIKey: QMNOIORHZMRPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-1-ol; ethane-1,2-diol; propane-1,2-diol
• IUPAC Traditional name: 1,2-propanediol; butanol; ethylene glycol
• Synonyms: Tergitol®; Poly(ethylene glycol-ran-propylene glycol) monobutyl ether; Poly(ethylene glycol-ran-propylene glycol) monobutyl ether; Ucon™ HTF 14; 聚(乙二醇-ran-丙二醇)单丁基醚; 聚环氧乙烷聚环氧丙烷单丁基醚

Database IDs

• CAS Number: 9038-95-3; 68551-14-4
• MDL Number: MFCD00198079
• PubChem SID: 24867428; 24899935; 24867430; 24889946; 162226887; 24867431
• PubChem CID: 16212863

CALCULATED PROPERTIES

• Acid pKa: 16.954258
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.80532193
• LogD (pH = 7.4): 0.80532193
• Log P: 0.80532193
• Molar Refractivity: 22.1349 cm^3
• Polarizability: 8.715081 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble at <40 °C
• Boiling Point: >200 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.033 g/mL at 25 °C; 1.04 g/mL at 20 °C; 1.051 g/mL at 25 °C; 1.056 g/mL at 25 °C
• Refractive Index: n20/D 1.454; n20/D 1.458; n20/D 1.46
• Viscosity: 110 cSt(20 °C)(lit.); 3,600 cSt(20 °C)(lit.); 350 cSt(20 °C)(lit.)
• Transition Temperature: pour point -27 °C; pour point -34 °C; pour point -40 °C

Safety Information

• RTECS: MD0911000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 1; 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/21/22-38-41
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H315-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3082 9/PG 3

Product Information

• Description: non-ionic
• Mol. Weight: average Mn ~1,700; average Mn ~3,900; average Mn ~970
• Measuring range: 18-260 °C range of application
• Linear Formula: CH3(CH2)3(OCH2CH2)x[OCH2CH(CH3)]yOH

DETAILS

Sigma Aldrich - T1135

Other Notes
Polyglycol ether (nonionic) surfactants.
包装
500 mL in poly bottle
法律信息
Tergitol is a registered trademark of Union Carbide

Sigma Aldrich - 93970

Application
water soluble oil bath fluid
Packaging
1 L in glass bottle
5 L in poly drum
Legal Information
Ucon is a trademark of Union Carbide

Sigma Aldrich - 438170

Application
Hydraulic fluids, metal working fluids and lubricants, heat transfer fluids, solder assist fluids, quenchants, lubricants, solvents, plasticizers and foam control agents.
Features and Benefits
Good lubricity under load, noncorrosive to metals. Very low ash content, low pour point, excellent thermal stability.

Sigma Aldrich - 438162

Application
Hydraulic fluids, metal working fluids and lubricants, heat transfer fluids, solder assist fluids, quenchants, lubricants, solvents, plasticizers and foam control agents.
Features and Benefits
Good lubricity under load, noncorrosive to metals. Very low ash content, low pour point, excellent thermal stability.

Sigma Aldrich - 438189

Packaging
1 L in poly bottle
Application
Hydraulic fluids, metal working fluids and lubricants, heat transfer fluids, solder assist fluids, quenchants, lubricants, solvents, plasticizers and foam control agents.
Features and Benefits
Good lubricity under load, noncorrosive to metals. Very low ash content, low pour point, excellent thermal stability.