Butyl isothiocyanate Property

Melting point:

115 °C

Boiling point:

70-71 °C35 mm Hg(lit.)

Density 

0.955 g/mL at 25 °C(lit.)

FEMA 

4082 | BUTYL ISOTHIOCYANATE

refractive index 

n20/D 1.5(lit.)

Flash point:

66 °C

form 

clear liquid

color 

Colorless to Light yellow

Odor

at 0.01 % in propylene glycol. sulfury pungent green

Odor Type

sulfurous

Water Solubility 

Insoluble in water.

Sensitive 

Moisture Sensitive

JECFA Number

1561

BRN 

906839

LogP

2.53

CAS DataBase Reference

592-82-5(CAS DataBase Reference)

EPA Substance Registry System

Butane, 1-isothiocyanato- (592-82-5)

Safety

Hazard Codes 

C

Risk Statements 

20/21/22-34-42

Safety Statements 

23-26-36/37-39-45

RIDADR 

UN 1693 6.1/PG 2

WGK Germany 

3

RTECS 

NX8420500

F 

3-21

Hazard Note 

Corrosive/Moisture Sensitive

TSCA 

Yes

HazardClass 

8

PackingGroup 

III

HS Code 

29309090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

H317May cause an allergic skin reaction

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Butyl isothiocyanate Chemical Properties,Usage,Production

Chemical Properties

Butyl isothiocyanate is a clear colorless to yellow liquid；strong irritating green aroma.It is a natural product found in Capparis spinosa, Brassica carinata, and Eutrema japonicum with data available.

Uses

1-Butyl isothiocyanate participates in the synthesis and characterization of Poly(N-Propargylthiourea). Participates in the Synthesis of 2-Aminobenzothiazoles via Copper (I)-Catalyzed Cross-Coupling with Part-Per-Million Catalyst Loadings. Thiols reactions with 1-Butyl isothiocyanate in aquatic toxicity data in the TETRATOX assay and reactivity data in an abiotic thiol assay. utyl isothiocyanate has been used as capping reagent to immobilize the functionalized derivative of Oregon Green 514 molecular switch on a preformed amino self assembled monlayer.

Production Methods

Butyl isothiocyanate is produced from n-Butylamine plus Carbon disulfide plus basic Lead acetate.

Definition

ChEBI: Butyl isothiocyanate is an isothiocyanate having a butyl group attached to the nitrogen. It has a role as a hapten.

Aroma threshold values

1.0%. Slightly pungent, rooty mustard, horseradish and wasabi-like with sulfurous onion and garlic note and a tropical nuance.

Taste threshold values

0.5 to 5 ppm. Horseradish and vegetative cabbage-like with rooty, wasabi, radishlike notes and leaving a biting and metallic aftertaste.

Synthesis Reference(s)

The Journal of Organic Chemistry, 39, p. 1970, 1974 DOI: 10.1021/jo00927a049

General Description

Butyl isothiocyanate is the main component of volatile oil of leaf, ripe fruit and root of Capparis spinosa.