3-(prop-2-en-1-yloxy)propane-1,2-diol; 3-chloropropane-1,2-diol; ethane-1,2-diol

• ChemBase ID: 137469
• Molecular Formular: C11H25ClO7
• Molecular Mass: 304.765
• Monoisotopic Mass: 304.12888082
• SMILES: C=CCOCC(CO)O.C(CO)O.C(C(CCl)O)O
• Canonical SMILES: OCC(CCl)O.C=CCOCC(CO)O.OCCO
• InChI: InChI=1S/C6H12O3.C3H7ClO2.C2H6O2/c1-2-3-9-5-6(8)4-7;4-1-3(6)2-5;3-1-2-4/h2,6-8H,1,3-5H2;3,5-6H,1-2H2;3-4H,1-2H2
• InChIKey: AJGYCMOCVMHZHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(prop-2-en-1-yloxy)propane-1,2-diol; 3-chloropropane-1,2-diol; ethane-1,2-diol
• IUPAC Traditional name: ethylene glycol; glycerin monoallyl ether; α chlorohydrin
• Synonyms: Poly(epichlorohydrin-co-ethylene oxide-co-allyl glycidyl ether); 聚(环氧氯丙烷-co-环氧乙烷-co-烯丙基缩水甘油醚)

Database IDs

• CAS Number: 26587-37-1
• MDL Number: MFCD00284254
• PubChem SID: 24869122; 162231731
• PubChem CID: 16212980

CALCULATED PROPERTIES

• Acid pKa: 13.640811
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4646377
• LogD (pH = 7.4): -0.46463794
• Log P: -0.4646377
• Molar Refractivity: 34.43 cm^3
• Polarizability: 13.502672 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.32 g/mL at 25 °C(lit.)
• Viscosity: 63-77(100 °C, Mooney, ML 1+4)(lit.)
• Transition Temperature: Tg -36 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Compostion: epichlorohydrin, 72-77 wt. %
• Contains: 0.3% antioxidant
• Linear Formula: [CH(CH2Cl)CH2O]x(CH2CH2O)y[CH2CH(CH2OCH2CH=CH2)O]Z

DETAILS

Sigma Aldrich - 457175

Application
Oil seals, printing rollers, belting, tubing, sheet and coated fabrics.
Features and Benefits
Cured polymers have low damping and are flexible over a wide temperature range, impermeable to gases.