2-{[4-(oxiran-2-ylmethoxy)butoxy]methyl}oxirane

• ChemBase ID: 130985
• Molecular Formular: C10H18O4
• Molecular Mass: 202.24752
• Monoisotopic Mass: 202.12050906
• SMILES: C1C(O1)COCCCCOCC1CO1
• Canonical SMILES: C(COCC1OC1)CCOCC1OC1
• InChI: InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
• InChIKey: SHKUUQIDMUMQQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-(oxiran-2-ylmethoxy)butoxy]methyl}oxirane
• IUPAC Traditional name: 2-{[4-(oxiran-2-ylmethoxy)butoxy]methyl}oxirane
• Synonyms: 1,4-Butanediol diglycidyl ether; Tetramethylene glycol diglycidyl ether; Araldite® RD-2; 1,4-Butanediyl diglycidyl ether; 1,4-丁二醇二缩水甘油醚; 1,4-丁二基二缩水甘油醚

Database IDs

• CAS Number: 2425-79-8
• EC Number: 219-371-7
• MDL Number: MFCD00005146
• Beilstein Number: 115238
• PubChem SID: 162225263; 24847603; 24851413; 24853198
• PubChem CID: 17046

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.33742958
• LogD (pH = 7.4): 0.33742958
• Log P: 0.33742958
• Molar Refractivity: 51.0554 cm^3
• Polarizability: 20.514818 Å^3
• Polar Surface Area: 40.22 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155-160 °C/11 mmHg; 157-158°C/11mm; 266 °C(lit.)
• Flash Point: 110 °C; 140°C(284°F); 230 °F
• Density: 1.049; 1.05 g/mL(lit.); 1.1 g/mL at 25 °C(lit.)
• Refractive Index: 1.4550; n20/D 1.453; n20/D 1.453(lit.)
• Vapor Pressure: ~10 mmHg ( 20 °C)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: EJ5100000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/21-36/38-43
• Safety Statements: 2-26-28-37/39; 26-28-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H312-H315-H317-H319-H332; H312-H332-H315-H319-H317
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95%; ≥95.0% (GC); 60%; 96%
• Grade: purum; technical grade
• Empirical Formula (Hill Notation): C10H18O4

DETAILS

Sigma Aldrich - B7381

法律信息
Araldite 注册商标 Huntsman Advanced Materials Inc.

Sigma Aldrich - 124192

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 220892

Packaging
10, 50 g in glass bottle
250 g in poly bottle

Sigma Aldrich - 19005

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