(prop-2-en-1-yloxy)benzene

• ChemBase ID: 149585
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: C=CCOc1ccccc1
• Canonical SMILES: C=CCOc1ccccc1
• InChI: InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
• InChIKey: POSICDHOUBKJKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-yloxy)benzene
• IUPAC Traditional name: allylphenyl ether
• Synonyms: Allyl phenyl ether; 3-Phenoxy-1-propene; (Allyloxy)benzene; 烯丙基苯基醚; 丙烯基苯基醚

Database IDs

• CAS Number: 1746-13-0
• EC Number: 217-125-3
• MDL Number: MFCD00008644
• Beilstein Number: 1905622
• PubChem SID: 162243748; 24890779
• PubChem CID: 74458

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5468245
• LogD (pH = 7.4): 2.5468245
• Log P: 2.5468245
• Molar Refractivity: 41.6839 cm^3
• Polarizability: 16.318077 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 191-192°C; 192 °C(lit.)
• Flash Point: 145.4 °F; 62°C(143°F); 63 °C
• Density: 0.978 g/mL at 25 °C(lit.); 0.979
• Refractive Index: 1.5210; n20/D 1.522; n20/D 1.522(lit.)

Safety Information

• RTECS: DA8575000
• German water hazard class: 3
• TSCA Listed: 是
• GHS Hazard statements: H227
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.5% (GC); 95+%; 99%
• Grade: puriss.
• Linear Formula: C6H5OCH2CH=CH2

DETAILS

Sigma Aldrich - A35208

Packaging
25 g in glass bottle