3-(3-propoxypropoxy)propan-1-ol

• ChemBase ID: 145339
• Molecular Formular: C9H20O3
• Molecular Mass: 176.2533
• Monoisotopic Mass: 176.1412445
• SMILES: CCCOCCCOCCCO
• Canonical SMILES: CCCOCCCOCCCO
• InChI: InChI=1S/C9H20O3/c1-2-6-11-8-4-9-12-7-3-5-10/h10H,2-9H2,1H3
• InChIKey: YUTGRHOAEOCWTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-propoxypropoxy)propan-1-ol
• IUPAC Traditional name: 3-(3-propoxypropoxy)propan-1-ol
• Synonyms: DOWANOL® DPnP; Di(propylene glycol) propyl ether, mixture of isomers; 二丙二醇丙醚，异构体混合物

Database IDs

• CAS Number: 29911-27-1
• EC Number: 249-949-4
• MDL Number: MFCD00274589
• PubChem SID: 24871936; 162239545
• PubChem CID: 5012309

CALCULATED PROPERTIES

• Acid pKa: 15.89971
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.38672173
• LogD (pH = 7.4): 0.38672173
• Log P: 0.38672173
• Molar Refractivity: 49.3517 cm^3
• Polarizability: 19.319328 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 212 °C(lit.)
• Flash Point: 190.4 °F; 88 °C
• Density: 0.92 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.424(lit.)

Safety Information

• RTECS: UB9353000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.5%
• Linear Formula: CH3CH2CH2OC3H6OC3H6OH

DETAILS

Sigma Aldrich - 484210

Packaging
1 L in poly bottle
Legal Information
Product of Dow Chemical
DOWANOL is a registered trademark of The Dow Chemical Company or an affiliated company of Dow