ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER

CAS NO.：3386-97-8
Empirical Formula: C5H7NS
Molecular Weight: 113.18
MDL number: MFCD00191660
EINECS: 222-209-8
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-19 15:17:17

What is ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER?

Chemical properties

Colorless liquid; penetrating aroma.

Occurrence

Reported found in horseradish, mustard, and wasabi.

The Uses of ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER

3-Butenyl isothiocyanate is a useful building block and has been proposed to have demonstrated anticancer effects in colorectal cancer, however little is known about their effect in colorectal cancers and tumor initiation properties.

Definition

ChEBI: 4-isothiocyanato-1-butene is an isothiocyanate.

Aroma threshold values

High strength odor, recommend smelling in a 0.01% solution or less.

Properties of ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER

Boiling point:	77 °C / 21mmHg
Density	0.99
refractive index	1.5210 to 1.5240
FEMA	4418 \| 3-BUTENYL ISOTHIOCYANATE
solubility	Acetonitrile (Slightly), Chloroform (Soluble), Dichloromethane (Slightly), Metha
form	clear liquid
color	Colorless to Light orange to Yellow
Odor	aromatic pungent
JECFA Number	1889
Stability:	Light Sensitive, Volatile

Safety information for ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P403+P235:Store in a well-ventilated place. Keep cool.