329746

Octyl isocyanate

97%

• Linear Formula: CH₃(CH₂)₇NCO
• CAS Number: 3158-26-7
• Molecular Weight: 155.24
• EC Number: 221-598-1
• NACRES: NA.22
• PubChem Substance ID: 24859810
• UNSPSC Code: 12352100
• MDL number: MFCD00013887
• Assay: 97%
• Form: liquid

Properties

• Quality Segment: 100
• assay: 97%
• form: liquid
• refractive index: n20/D 1.432 (lit.)
• bp: 200-204 °C (lit.)
• density: 0.88 g/mL at 25 °C (lit.)
• functional group: amine, isocyanate
• SMILES string: CCCCCCCCN=C=O
• InChI: 1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
• InChI key: DYQFCTCUULUMTQ-UHFFFAOYSA-N

Description

General description

Octyl isocyanate was reported to inactivate serine proteinase, chymotrypsin.

Application

Octyl isocyanate was used to suppress side reactions such as backbiting or chain transfer reaction during polymerization reactions. It was also used in the synthesis of:

• low molar mass organogelator containing 2-(2′-hydroxyphenyl)benzoxazole (HPB) unit with long alkyl chain
• N-octylurea
• N-cyclopropyl-N′-octylurea

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3
• flash_point_f: 159.8 °F - closed cup
• flash_point_c: 71 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter