2-(butoxymethyl)oxirane

• ChemBase ID: 109602
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: CCCCOCC1CO1
• Canonical SMILES: CCCCOCC1CO1
• InChI: InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3
• InChIKey: YSUQLAYJZDEMOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(butoxymethyl)oxirane
• IUPAC Traditional name: glycidyl N-butyl ether
• Synonyms: n-BUTYL GLYCIDYL ETHER; 2-(butoxymethyl)oxirane; Araldite® RD-1; (Butoxymethyl)oxirane; Butyl glycidyl ether; Butyl 2,3-epoxypropyl ether; Glycidol butyl ether; n-Butyl glycidyl ether; 丁氧基甲基环氧乙烷; 丁基缩水甘油醚; 正丁基缩水甘油醚

Database IDs

• CAS Number: 2426-08-6
• EC Number: 219-376-4
• MDL Number: MFCD00005145
• Beilstein Number: 103668
• PubChem SID: 162096267; 24863488
• PubChem CID: 17049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.289715
• LogD (pH = 7.4): 1.289715
• Log P: 1.289715
• Molar Refractivity: 35.6308 cm^3
• Polarizability: 14.282731 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 163-165°C; 164°C; 164-166 °C(lit.)
• Flash Point: 129.2 °F; 40°C(104°F); 54 °C
• Density: 0.908 g/ml; 0.91 g/mL at 25 °C(lit.); 0.920
• Refractive Index: 1.4190; n20/D 1.418(lit.); n20/D 1.419

Safety Information

• RTECS: TX4200000
• European Hazard Symbols: Toxic (T); X; Harmful (Xn)
• UN Number: 3271; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/22-37-40-43-68-52/53; 45-10-23/24/25-36/37/38-43-52/53-68; R:20-43
• Safety Statements: 24/25-36/37-61; 53-26-36/37-45-61; S:24/25
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H314-H317-H331-H335-H341-H350-H412; H226-H341-H351-H332-H317-H335-H303-H313-H402-H412
• GHS Precautionary statements: P201-P261-P273-P280-P305 + P351 + P338-P310; P210-P241-P303+P361+P353-P302+P352-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 3

Product Information

• Purity: ≥96.0% (GC); 95%
• Grade: purum
• Empirical Formula (Hill Notation): C7H14O2

DETAILS

MP Biomedicals - 05211771

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 377031

Packaging
250 mL in glass bottle
Legal Information
Araldite is a registered trademark of Huntsman Advanced Materials Inc.

Sigma Aldrich - 19937

Legal Information
Araldite is a registered trademark of Huntsman Advanced Materials Inc.