1-propoxypropane

• ChemBase ID: 108161
• Molecular Formular: C6H14O
• Molecular Mass: 102.17476
• Monoisotopic Mass: 102.10446507
• SMILES: CCCOCCC
• Canonical SMILES: CCCOCCC
• InChI: InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3
• InChIKey: POLCUAVZOMRGSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propoxypropane
• IUPAC Traditional name: DI(N-propyl) ether
• Synonyms: propyl ether; dipropyl ether; di-n-propyl ether; Dipropyl ether; DI-n-PROPYL ETHER; Dipropyl ether; n-Propyl ether; Di-n-propyl ether; 丙醚; 二丙醚; 正丙醚

Database IDs

• CAS Number: 111-43-3
• EC Number: 203-869-6
• MDL Number: MFCD00009376
• Beilstein Number: 1731312
• PubChem SID: 24847025; 162094017
• PubChem CID: 8114
• Chemspider ID: 7823
• Wikipedia Title: Dipropyl_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8832102
• LogD (pH = 7.4): 1.8832102
• Log P: 1.8832102
• Molar Refractivity: 31.5577 cm^3
• Polarizability: 12.476034 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 3 g/L (20 °C) in water
• Apperance: Colorless liquid
• Melting Point: -122°C; -122°C; -123 °C(lit.)
• Boiling Point: 88-90 °C(lit.); 89°C; 90°C; 90-91°C
• Flash Point: -18°C (-0.399999999999999°F); -18.4 °F; -28 °C; -28°C(-18°F)
• Density: 0.736 g/mL at 25 °C(lit.); 0.7360 g/ml; 0.747; 0.75 g/cm^3
• Refractive Index: n20/D 1.380(lit.)
• Vapor Pressure: 55 mmHg ( 20 °C)

Safety Information

• RTECS: UJ5125000
• European Hazard Symbols: Flammable (F)
• UN Number: 2384; UN2384
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19-66-67; R:11-19-66-67
• Safety Statements: 9-16-29-33; S:9-16-29-33
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H336
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P405-P501A; P210-P261
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2384 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.

Product Information

• Purity: ≥99%; 99%
• Linear Formula: (CH3CH2CH2)2O

DETAILS

MP Biomedicals - 05206288

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 111333

Packaging
25, 100 g in glass bottle