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. |
Computed Descriptors for ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER
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