557099

3-Methoxybenzyl isocyanate

97%

• Linear Formula: CH₃OC₆H₄CH₂NCO
• CAS Number: 57198-56-8
• Molecular Weight: 163.17
• MDL number: MFCD03427184
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879185
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• refractive index: n20/D 1.5320 (lit.)
• density: 1.136 g/mL at 25 °C (lit.)
• functional group: amine; isocyanate
• storage temp.: 2-8°C
• SMILES string: COc1cccc(CN=C=O)c1
• InChI: 1S/C9H9NO2/c1-12-9-4-2-3-8(5-9)6-10-7-11/h2-5H,6H2,1H3
• InChI key: QWGAJMDRYUIPIT-UHFFFAOYSA-N

Description

General description

3-Methoxybenzyl isocyanate (3MBITC) is the degradation product of glucolimnanthin, a glucosinolate found in meadowfoam (Limnanthes alba) seed oil.

Application

3-Methoxybenzyl isocyanate may be used to synthesize the following thiourea derivatives:

• 1-(3-methoxybenzyl)-3-dodecyl thiourea
• 1-(3-methoxybenzyl)-3-octyl thiourea
• 1,3-di(3-methoxybenzyl) thiourea
• 1-(3-methoxybenzyl)-3-octadecyl thiourea

Caution

Refrigerate

Safety Information

• Pictograms: GHS02,GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H226,H302 + H312 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 80.1 °F - closed cup
• Flash Point(C): 26.7 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves