Isothiocyanic acid, hexyl ester
HEXYL ISOTHIOCYANATE
CAS: 4404-45-9
Molecular Formula: C7H13NS
Isothiocyanic acid, hexyl ester - Names and Identifiers
Isothiocyanic acid, hexyl ester - Physico-chemical Properties
| Molecular Formula | C7H13NS |
| Molar Mass | 143.25 |
| Density | 0.929 g/mL at 25 °C (lit.) |
| Melting Point | 83 °C |
| Boling Point | 136-138 °C/96 mmHg (lit.) |
| Flash Point | 195°F |
| JECFA Number | 1895 |
| BRN | 1751837 |
| Storage Condition | Room Temprature |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.491(lit.) |
| MDL | MFCD00014445 |
Isothiocyanic acid, hexyl ester - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 2810 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 29309090 |
| Hazard Class | 6.1 |
| Packing Group | III |
Isothiocyanic acid, hexyl ester - Introduction
HEXYL ISOTHIOCYANATE is an organic compound with a chemical formula of C8H15NOS. The following is a description of the nature, use, manufacture and safety information of the HEXYL ISOTHIOCYANATE:
Properties: HEXYL ISOTHIOCYANATE is a colorless to pale yellow liquid with a pungent odor. It is volatile and can be dissolved in organic solvents such as ethanol, ether and chlorinated hydrocarbons. Its boiling point is 180-183°C. HEXYL ISOTHIOCYANATE is a more active nucleophile, prone to nucleophilic substitution reaction.
Purpose: HEXYL ISOTHIOCYANATE is often used as a reagent in organic synthesis. It can be used to prepare various organic compounds, such as isothiocyanates, oxalates, hydrazides, and oxazoles. It is also used as a raw material for food additives to increase the flavor of food.
Preparation method: The preparation method of HEXYL ISOTHIOCYANATE is relatively simple and can be generally obtained by the reaction of hexanol and ammonium isothiocyanate. The reaction conditions are generally acid-base neutralization reaction at high temperature, and the product can be purified by distillation to obtain the HEXYL ISOTHIOCYANATE.
Safety Information: Pay attention to safety when using HEXYL ISOTHIOCYANATE. It is an irritating compound and contact with the skin and eyes may cause inflammation and irritation. Personal protective measures should be taken to avoid contact with skin and eyes. Operate in a well-ventilated area and avoid inhaling gases or vapors. If ingestion or accidental contact, should be timely medical treatment.
Last Update：2024-04-09 02:00:49
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