2-[(prop-2-en-1-yloxy)methyl]oxirane

• ChemBase ID: 151029
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: C=CCOCC1CO1
• Canonical SMILES: C=CCOCC1CO1
• InChI: InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2
• InChIKey: LSWYGACWGAICNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(prop-2-en-1-yloxy)methyl]oxirane
• IUPAC Traditional name: 2-[(prop-2-en-1-yloxy)methyl]oxirane
• Synonyms: 1-Allyloxy-2,3-epoxypropane; Allyl 2,3-epoxypropyl ether; Allyl glycidyl ether; 1-烯丙氧基-2,3-环氧丙烷; 烯丙基-2,3-环氧丙醚; 烯丙基缩水甘油醚; 烯丙基-2,3-环氧丙醚

Database IDs

• CAS Number: 106-92-3
• EC Number: 203-442-4
• MDL Number: MFCD00005143
• Beilstein Number: 105871
• PubChem SID: 24890754; 162245188
• PubChem CID: 7838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6970659
• LogD (pH = 7.4): 0.6970659
• Log P: 0.6970659
• Molar Refractivity: 30.9199 cm^3
• Polarizability: 12.201129 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -100°C
• Boiling Point: 154 °C(lit.); 50-51°C/15mm
• Flash Point: 134.6 °F; 47°C(134°F); 57 °C
• Density: 0.962 g/mL at 25 °C(lit.); 0.967
• Refractive Index: 1.4350; n20/D 1.433(lit.)
• Vapor Pressure: 4.7 mmHg ( 25 °C)
• Vapor Density: 3.9 (vs air)

Safety Information

• RTECS: RR0875000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2219; UN2219
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/22-37/38-40-41-43-52/53-62-68; 10-20/22-37/38-40-41-43-62-68-52/53
• Safety Statements: 2-24/25-26-36/37/39-61; 24/25-26-36/37/39-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H315-H317-H318-H332-H335-H341-H351-H361f-H412; H318-H315-H226-H341-H351-H361-H302-H332-H317-H335-H412
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P273-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
• RID/ADR: UN 2219 3/PG 3

Product Information

• Purity: ≥99%; 97%
• Empirical Formula (Hill Notation): C6H10O2

DETAILS

Sigma Aldrich - A32608

Application
Useful in hydrosilylation, including the H2PtCl6·xH2O (cat. no. 206083) catalyzed hydrosilylation of siloxanes to epoxysiloxanes.1
Packaging
100, 500 mL in Sure/Seal™