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

• ChemBase ID: 28203
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: c1(c(OCC=C)cccc1)C=O
• Canonical SMILES: C=CCOc1ccccc1C=O
• InChI: InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2
• InChIKey: BXCJDECTRRMSCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(prop-2-en-1-yloxy)benzaldehyde
• IUPAC Traditional name: 2-(prop-2-en-1-yloxy)benzaldehyde
• Synonyms: 2-Allyloxybenzaldehyde; o-ALLYLOXYBENZALDEHYDE; 2-(Allyloxy)benzenecarbaldehyde; 2-(Allyloxy)benzaldehyde; 邻丙烯基氧基苯甲醛; 2-丙烯氧基苯甲醛

Database IDs

• CAS Number: 28752-82-1
• EC Number: 249-198-2
• MDL Number: MFCD00014130
• PubChem SID: 160991510; 24868187
• PubChem CID: 101335

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2593267
• LogD (pH = 7.4): 2.2593267
• Log P: 2.2593267
• Molar Refractivity: 48.2679 cm^3
• Polarizability: 18.182507 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129-132°C/10mm; 130 °C/10 mmHg(lit.); 92 - 94 °C @ 0.05 mBar; 92-94°C/0.04mm
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F
• Density: 1.079; 1.079 g/mL at 25 °C(lit.)
• Refractive Index: 1.5500; n20/D 1.55(lit.)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: >95%; 95+%; 97%
• Grade: technical grade
• Linear Formula: H2C=CHCH2OC6H4CHO

DETAILS

MP Biomedicals - 05212593

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 445509

Packaging
5, 25 mL in poly bottle