OCTYL ISOTHIOCYANATE Chemical Properties

Boiling point:

125 °C (7 mmHg)

Density 

0.88

refractive index 

1.49

Flash point:

94 °C

form 

clear liquid

color 

Colorless to Light yellow

Specific Gravity

0.91

Water Solubility 

It hydrolyzes in water.

λmax

245nm(Dioxane)(lit.)

Sensitive 

Moisture Sensitive

BRN 

1760783

InChI

1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3

InChIKey

YEZHGQZHWKJPCM-UHFFFAOYSA-N

SMILES

CCCCCCCCN=C=S

LogP

4.700 (est)

CAS DataBase Reference

4430-45-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,T

Risk Statements 

36/37/38-20/21/22-34-25-20/21

Safety Statements 

36/37/39-26-45

RIDADR 

2810

WGK Germany 

WGK 3

HS Code 

2930.90.9250

HazardClass 

8

PackingGroup 

III

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Skin Corr. 1B

MSDS

• Language:English Provider:ACROS
• Language:English Provider:ALFA

OCTYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties

clear yellow liquid

Uses

1-Octyl isothiocyanate can be used to produce 1-(6-methyl-quinolin-2-yl)-3-octyl-thiourea. It is used as intermediates in pharmaceutical industry.

OCTYL ISOTHIOCYANATE(4430-45-9)Related Product Information

• DECYL ISOTHIOCYANATE
• Octadecyl isothiocyanate
• CYCLODODECYL ISOTHIOCYANATE
• NONYL ISOTHIOCYANATE
• OCTYL ISOTHIOCYANATE
• DODECYL ISOTHIOCYANATE
• TETRADECYL ISOTHIOCYANATE
• CYCLOOCTYL ISOTHIOCYANATE
• (S)-(+)-2-OCTYL ISOTHIOCYANATE
• (R)-(-)-2-OCTYL ISOTHIOCYANATE
• 1,8-OCTANE DIISOTHIOCYANATE
• HEXADECYL ISOTHIOCYANATE
• 1-ADAMANTYL ISOTHIOCYANATE
• THIENYLDECYL ISOTHIOCYANATE
• 2-(1-CYCLOHEXEN-1-YL)ETHYLISOTHIOCYANATE
• UNDECYL ISOTHIOCYANATE
• TERT-OCTYL ISOTHIOCYANATE
• 2-OCTYL ISOTHIOCYANATE