1-propoxypropan-2-ol

• ChemBase ID: 145636
• Molecular Formular: C6H14O2
• Molecular Mass: 118.17416
• Monoisotopic Mass: 118.09937969
• SMILES: CCCOCC(C)O
• Canonical SMILES: CCCOCC(O)C
• InChI: InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3
• InChIKey: FENFUOGYJVOCRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propoxypropan-2-ol
• IUPAC Traditional name: 1-propoxy-2-propanol
• Synonyms: 1-Propoxy-2-propanol; Propylene glycol propyl ether; DOWANOL® PnP; 1-丙氧基-2-丙醇; 丙二醇丙醚

Database IDs

• CAS Number: 1569-01-3
• EC Number: 216-372-4
• MDL Number: MFCD00192420
• PubChem SID: 24866601; 162239841; 24871940
• PubChem CID: 15286

CALCULATED PROPERTIES

• Acid pKa: 14.853735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7303528
• LogD (pH = 7.4): 0.73035276
• Log P: 0.7303528
• Molar Refractivity: 32.9962 cm^3
• Polarizability: 13.096364 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-160 °C(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 0.885 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.411(lit.)

Safety Information

• RTECS: UB9351000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3271
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 3

Product Information

• Purity: ≥98.5%; 99%
• Linear Formula: CH3CH2CH2OCH2CH(OH)CH3

DETAILS

Sigma Aldrich - 484326

Packaging
1, 4 L in glass bottle
Legal Information
Product of Dow Chemical
DOWANOL is a registered trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 424927

Packaging
1, 4 L in glass bottle
18 L in steel drum