(2R)-2-(1-ethoxyethoxy)propan-1-ol

• ChemBase ID: 152336
• Molecular Formular: C7H16O3
• Molecular Mass: 148.20014
• Monoisotopic Mass: 148.10994437
• SMILES: CCOC(C)O[C@H](C)CO
• Canonical SMILES: CCOC(O[C@@H](CO)C)C
• InChI: InChI=1S/C7H16O3/c1-4-9-7(3)10-6(2)5-8/h6-8H,4-5H2,1-3H3/t6-,7?/m1/s1
• InChIKey: VLECUSKDVHMJKF-ULUSZKPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(1-ethoxyethoxy)propan-1-ol
• IUPAC Traditional name: (2R)-2-(1-ethoxyethoxy)propan-1-ol
• Synonyms: (R)-(-)-2-[(RS)-1-Ethoxyethoxy]-1-propanol; (R)-(-)-2-[(RS)-1-乙氧基乙氧基]-1-丙醇

Database IDs

• CAS Number: 184110-41-6
• MDL Number: MFCD03490516
• Beilstein Number: 7566593
• PubChem SID: 162246481; 24850400
• PubChem CID: 400539

CALCULATED PROPERTIES

• Acid pKa: 14.680601
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5004887
• LogD (pH = 7.4): 0.5004887
• Log P: 0.5004887
• Molar Refractivity: 39.1675 cm^3
• Polarizability: 15.65072 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.951 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.420
• Optical Rotation: [α]20/D -18.5±1°, neat

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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: ≥95.0% (sum of enantiomers, GC)
• Empirical Formula (Hill Notation): C7H16O3

DETAILS

Sigma Aldrich - 17241

Packaging
5 g in poly bottle