[(benzyloxy)methyl]benzene

• ChemBase ID: 148089
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1ccc(cc1)COCc1ccccc1
• Canonical SMILES: O(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: MHDVGSVTJDSBDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(benzyloxy)methyl]benzene
• IUPAC Traditional name: dibenzyl ether
• Synonyms: Dibenzyl ether; Benzyl ether; Benzyl ether; Dibenzyl ether; (Oxybis(methylene))dibenzene; 二苄醚; 苄醚; 苄醚; 二苄醚

Database IDs

• CAS Number: 103-50-4
• EC Number: 203-118-2
• MDL Number: MFCD00004780
• Beilstein Number: 1911156
• Merck Index: 141132
• PubChem SID: 24846794; 24860371; 24901028; 24860373; 162242266
• PubChem CID: 7657
• FEMA ID: 2371
• Council of Europe Number: 2150
• Flavis Number: 3.004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5734956
• LogD (pH = 7.4): 3.5734956
• Log P: 3.5734956
• Molar Refractivity: 62.2377 cm^3
• Polarizability: 24.3507 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 1.5-3.5 °C(lit.); 3-4°C
• Boiling Point: 158-160 °C/10 mmHg(lit.); 298 °C(lit.); 298°C
• Flash Point: 135 °C; 135°C(275°F); 275 °F
• Density: 1.040; 1.043 g/mL at 20 °C(lit.); 1.043 g/mL at 25 °C(lit.)
• Refractive Index: 1.5620; n20/D 1.561(lit.); n20/D 1.562
• Organoleptic: almond; chocolate; spicy; fruity; sweet

Safety Information

• RTECS: DQ6125000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082; UN3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 36/37/38-51/53; 51/53
• Safety Statements: 23-61; 57
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H303-H401-H411; H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P273-P312-P391-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Regulation Compliance: FCC; FDA 21 CFR (172.515)

Product Information

• Purity: ≥98%; ≥98.0% (GC); 95+%; 98%; 98+%
• Grade: Kosher; purum; Selectophore™
• Linear Formula: (C6H5CH2)2O

DETAILS

Sigma Aldrich - W237108

Packaging
1 kg in glass bottle
5 kg in steel drum
1 sample in glass bottle
10 kg in poly drum

Sigma Aldrich - 108014

Packaging
1, 3 kg in poly bottle
25 g in poly bottle

Sigma Aldrich - 33628

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH