428345

1,1,3,3-Tetramethylbutyl isocyanate

98%

• Synonym(s): tert-Octyl isocyanate
• Linear Formula: (CH₃)₃CCH₂C(CH₃)₂NCO
• CAS Number: 1611-57-0
• Molecular Weight: 155.24
• MDL number: MFCD00209615
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866810
• NACRES: NA.22

Properties

• assay: 98%
• form: liquid
• refractive index: n20/D 1.426 (lit.)
• bp: 170-172 °C (lit.)
• density: 0.859 g/mL at 25 °C (lit.)
• functional group: amine; isocyanate
• storage temp.: 2-8°C
• SMILES string: CC(C)(C)CC(C)(C)N=C=O
• InChI: 1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
• InChI key: XOHBENIMDRFUIH-UHFFFAOYSA-N

Description

General description

1,1,3,3-Tetramethylbutyl isocyanate is a sterically hindered isocyanate.[1] Its synthesis from tert-octylamine has been reported.[2]

Application

1,1,3,3-Tetramethylbutyl isocyanate may be used in the synthesis of amides by Grignard reaction.[1]

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H226,H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 118.4 °F - closed cup
• flash_point_c: 48 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter