1-phenoxypropan-2-ol

• ChemBase ID: 150819
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: CC(COc1ccccc1)O
• Canonical SMILES: CC(COc1ccccc1)O
• InChI: InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
• InChIKey: IBLKWZIFZMJLFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenoxypropan-2-ol
• IUPAC Traditional name: 1-phenoxy-2-propanol
• Synonyms: DOWANOL® PPh; Propylene glycol phenyl ether; Propylene phenoxytol; 1-Phenoxy-2-propanol; 丙二醇苯醚; 苯氧异丙醇; 1-苯氧基-2-丙醇

Database IDs

• CAS Number: 770-35-4
• EC Number: 212-222-7
• MDL Number: MFCD00016861
• Beilstein Number: 1941356
• PubChem SID: 24871949; 24887229; 162244979
• PubChem CID: 92839

CALCULATED PROPERTIES

• Acid pKa: 14.8345995
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5420476
• LogD (pH = 7.4): 1.5420475
• Log P: 1.5420476
• Molar Refractivity: 43.2323 cm^3
• Polarizability: 17.146587 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 242-244°C; 243 °C(lit.)
• Flash Point: 113 °C; 120°C(248°F); 235.4 °F
• Density: 1.060; 1.064 g/mL at 20 °C(lit.)
• Refractive Index: 1.5230; n20/D 1.523(lit.); n20/D 1.525

Safety Information

• RTECS: UB8886500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36
• Safety Statements: 23-26
• TSCA Listed: 是
• 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: ≥80% (GC); ≥93%; tech. 85%
• Grade: technical
• Impurities: <7% di(propylene glycol) phenyl ether
• Linear Formula: C6H5OCH2CH(OH)CH3

DETAILS

Sigma Aldrich - 484423

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