2-methoxybenzaldehyde

• ChemBase ID: 106961
• Molecular Formular: C8H8O2
• Molecular Mass: 136.14792
• Monoisotopic Mass: 136.0524295
• SMILES: COc1ccccc1C=O
• Canonical SMILES: O=Cc1ccccc1OC
• InChI: InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
• InChIKey: PKZJLOCLABXVMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxybenzaldehyde
• IUPAC Traditional name: benzaldehyde, 2-methoxy-
• Synonyms: o-ANISALDEHYDE; 2-Methoxybenzaldehyde; 2-methoxybenzaldehyde; 2-Methoxybenzaldehyde; o-Anisaldehyde; Salicylaldehyde methyl ether; o-Anisaldehyde; 2-甲氧基苯甲醛; 2-甲氧基苯甲醛; 水杨醛甲醚; 邻茴香醛; 邻茴香醛

Database IDs

• CAS Number: 135-02-4
• EC Number: 205-171-7
• MDL Number: MFCD00003308
• Beilstein Number: 606301
• PubChem SID: 162093680; 24883419; 24846928
• PubChem CID: 8658
• FEMA ID: 4077
• Flavis Number: 5.129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5280769
• LogD (pH = 7.4): 1.5280769
• Log P: 1.5280769
• Molar Refractivity: 39.1052 cm^3
• Polarizability: 14.738825 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34 - 40°C; 34-40 °C(lit.); 34-40°C; 35-37 °C; 35-39°C
• Boiling Point: 237-238°C; 238 °C(lit.)
• Flash Point: 117°C(242°F); 118 °C; 244.4 °F
• Density: 1.127 g/ml; 1.127 g/mL at 25 °C(lit.); 1.13
• Refractive Index: 1.5610
• Hydrophobicity(logP): 1.779
• Organoleptic: almond; balsam; hawthorne; spicy; woody; floral; sweet

Safety Information

• Storage Warning: Air Sensitive
• RTECS: BZ2610000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38; R:10-36/37/38
• Safety Statements: 26-36; 26-37; S:9-16-26-29-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97%; ≥98.0% (GC); 95%; 95+%; 98%
• Grade: Kosher; NI; purum
• Impurities: ≤2% 2-methoxybenzoic acid
• Linear Formula: CH3OC6H4CHO

DETAILS

MP Biomedicals - 05202066

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 109622

Biochem/physiol Actions
Naturally-occurring aromatic aldehyde with acaricidal activity. May condense with L-tryptophan in foods to form the corresponding phenolic tetrahydro-β-carboline-3-carboxylic acid which is a potent antioxidant.
Packaging
2, 100, 500 g in glass bottle

Sigma Aldrich - W407701

Biochem/physiol Actions
Naturally-occurring aromatic aldehyde with acaricidal activity. May condense with L-tryptophan in foods to form the corresponding phenolic tetrahydro-β-carboline-3-carboxylic acid which is a potent antioxidant.
Odor @ 10% pg:
Taste @ 50 ppm water:
Packaging
1 kg in glass bottle
1 sample in glass bottle

Sigma Aldrich - W506400

Biochem/physiol Actions
Naturally-occurring aromatic aldehyde with acaricidal activity. May condense with L-tryptophan in foods to form the corresponding phenolic tetrahydro-β-carboline-3-carboxylic acid which is a potent antioxidant.

Sigma Aldrich - 64770

Biochem/physiol Actions
Naturally-occurring aromatic aldehyde with acaricidal activity. May condense with L-tryptophan in foods to form the corresponding phenolic tetrahydro-β-carboline-3-carboxylic acid which is a potent antioxidant.