Octadecyl isothiocyanate
- CAS No.
- 2877-26-1
- Chemical Name:
- Octadecyl isothiocyanate
- Synonyms
- Octadecyl isothiocyate;OCTADECYL ISOTHIOCYANATE;1-isothiocyanato-octadecan;N-OCTADECYL ISOTHIOCYANATE;OCTADECYL ISOTHIOCYANATE 97%;Octadecyl isothiocyanate,97%;Octadecane, 1-isothiocyanato-
- CBNumber:
- CB3349124
- Molecular Formula:
- C19H37NS
- Molecular Weight:
- 311.57
- MDL Number:
- MFCD00041124
- MOL File:
- 2877-26-1.mol
- MSDS File:
- SDS
| Melting point | 29-33 °C |
|---|---|
| Boiling point | 140-142 °C(Press: 0.003 Torr) |
| Density | 0.9772 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| InChI | InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3 |
| InChIKey | VJIRSSFEIRFISD-UHFFFAOYSA-N |
| SMILES | C(N=C=S)CCCCCCCCCCCCCCCCC |
| CAS DataBase Reference | 2877-26-1(CAS DataBase Reference) |
| EPA Substance Registry System | Octadecane, 1-isothiocyanato- (2877-26-1) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H335-H319 |
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Hazard Codes | Xn |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 36/37/39-26 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
Octadecyl isothiocyanate price More Price(11)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| aablocks | AA002WC1 | 1-Isothiocyanatooctadecane 98% | 2877-26-1 | 5g | $238 | 2026-05-28 | Buy |
| aablocks | AA002WC1 | 1-Isothiocyanatooctadecane 98% | 2877-26-1 | 10g | $388 | 2026-05-28 | Buy |
| aablocks | AA002WC1 | 1-Isothiocyanatooctadecane 98% | 2877-26-1 | 25g | $800 | 2026-05-28 | Buy |
| AHH | MT-20334 | Octadecyl isothiocyanate 97% | 50g | $360 | 2026-05-26 | Buy | |
| SynQuest Laboratories | 7168-1-17 | Octadecylisothiocyanate | 2877-26-1 | 1g | $85 | 2021-12-16 | Buy |
Octadecyl isothiocyanate Chemical Properties, Uses, Production
Preparation
chemical synthesis method for Octadecyl isothiocyanate, using octadecylamine and bis(trichloromethyl) carbonate as raw materials, involves slowly adding a solution of octadecylamine dissolved in an organic solvent to a solution of bis(trichloromethyl) carbonate dissolved in the same organic solvent, while maintaining the reaction system temperature at 0–5°C. After the addition is complete, the mixture is stirred at room temperature for 0.5–5 hours, then heated to 35–150°C and reacted at this temperature for 0.5–10 hours. After the reaction is complete, the reaction solution is post-treated to obtain the Octadecyl isothiocyanate. The reaction equation is as follows: The molar ratio of octadecylamine to bis(trichloromethyl) carbonate is 1:1/3, the solvent is n-hexane, and the amount used is 2 mL/g based on the mass of octadecylamine. The specific steps are as follows: 29.7 g (0.1 mol) of bis(trichloromethyl) carbonate and 70 mL of n-hexane were added to a four-necked flask equipped with a mechanical stirrer, thermometer, constant-pressure dropping funnel, and reflux condenser. Stirring was started, and the mixture was cooled to 0–5 °C. A solution of 80.7 g (0.3 mol) of octadecylamine in 90 mL of n-hexane was added dropwise to the reaction system through the constant-pressure dropping funnel at a rate of approximately 1.5 mL/min. After the addition was complete, the mixture was stirred at room temperature for 0.5 h, then heated to 70 °C and reacted at 70–80 °C for approximately 2.5 h. After the reaction was complete, nitrogen gas was purged to purge hydrogen chloride gas. After recovering the n-hexane by vacuum distillation, 69.4 g of Octadecyl isothiocyanate was distilled off, yielding 78.2%. Gas chromatography determined the product purity to be 98.0%. Nuclear magnetic resonance (Bruke): ¹H NMR (300 MHz, CDCl₃): Δ (ppm) 3.28 (t, J = 6.68 Hz, 2H), 1.58–1.63 (m, 2H), 1.26–1.39 (m, 30H), 0.89 (t, J = 6.32 Hz, 3H); Infrared (AVATAR-370): IRvmax (KBr): 2925, 2854, 2270, 1462, 1356, 721 cm⁻¹.
Uses
Octadecyl isothiocyanate is mainly used as a synthetic raw material for dyeing and printing auxiliaries and wool textile softener VS, and can also be used for surface treatment of waterproof fabrics.
Chemical Properties
WHITE TO BEIGE CRYSTALLINE LOW MELTING SOLID
Octadecyl isothiocyanate Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hubei Xingyan New Material Technology Co., Ltd | 13129948835 | 2756772312@qq.com | China | 4504 | 58 |
| Shanghai Boyle Chemical Co., Ltd. | 021-50182298 021-50180596 | sales@boylechem.com | China | 2202 | 55 |
| Tianjin Zhongxin Chemtech Co., Ltd. | 022-66880623 | sales@tjzxchem.com | China | 612 | 60 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| China Langchem Inc. | 0086-21-58956006 | China | 7798 | 57 | |
| Shanghai T&W Pharmaceutical Co., Ltd. | +86 21 61551611 | China | 9874 | 58 | |
| Chengdu HuaXia Chemical Reagent Co. Ltd | 400-1166-196 13458535857 | cdhxsj@163.com | China | 13323 | 58 |
| Shanghai Macklin Biochemical Co.,Ltd. | 15221275939 15221275939 | shenlinxing@macklin.cn | China | 15775 | 55 |
View Latest Price from Octadecyl isothiocyanate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-08-25 | 1-Isothiocyanatooctadecane
2877-26-1
|
$2.00-5.00 | 1kg | 99% | 100kg | ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | |
 |
2020-01-10 | Octadecyl isothiocyanate
2877-26-1
|
$9.80 | 1g | ≥99% | 100kg | Career Henan Chemical Co |
-
- 1-Isothiocyanatooctadecane
2877-26-1
- $2.00-5.00
- 99%
- ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
-
- Octadecyl isothiocyanate
2877-26-1
- $9.80
- ≥99%
- Career Henan Chemical Co
