4-ethoxybenzaldehyde

• ChemBase ID: 70050
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: C(=O)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C=O
• InChI: InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
• InChIKey: JRHHJNMASOIRDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxybenzaldehyde
• IUPAC Traditional name: benzaldehyde, 4-ethoxy-
• Synonyms: 4-Ethoxybenzaldehyde 98%; 4-Ethoxybenzaldehyde; 4-Ethoxybenzaldehyde; p-ETHOXYBENZALDEHYDE; 对乙氧基苯甲醛; 4-乙氧基苯甲醛

Database IDs

• CAS Number: 10031-82-0
• EC Number: 233-093-3
• MDL Number: MFCD00003388
• Beilstein Number: 386863
• PubChem SID: 24845320; 24901052; 24850459; 162035775
• PubChem CID: 24834
• FEMA ID: 2413
• Council of Europe Number: 626
• Flavis Number: 5.056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8848848
• LogD (pH = 7.4): 1.8848848
• Log P: 1.8848848
• Molar Refractivity: 43.8538 cm^3
• Polarizability: 16.577509 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 13 - 14°C; 13-14 °C(lit.); 13-14°C
• Boiling Point: 130-132°C; 253-255°C; 255 °C(lit.)
• Flash Point: <110°C(230°F); 113 °C; 235.4 °F
• Density: 1.08; 1.08 g/mL at 25 °C(lit.)
• Refractive Index: 1.5590; n20/D 1.559; n20/D 1.559(lit.)
• Hydrophobicity(logP): 2.308
• Organoleptic: spicy; sweet

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• RTECS: CU6100000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2; 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H303; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P312
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥97.0% (GC); ≥99%; 95%; 95+%; 97%; 97+%; 99%
• Grade: FG; Kosher; purum
• Impurities: ≤2% free acid
• Linear Formula: C2H5OC6H4CHO

DETAILS

MP Biomedicals - 05214280

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W241318

Packaging
1 kg in glass bottle
1 sample in glass bottle
100, 500 g in glass bottle
5 kg in comp drum

Sigma Aldrich - 173606

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 02567

Caution
may discolor to red-brown on storage