-
Name
ETHYL 4-ISOTHIOCYANATOBUTYRATE
- EINECS
- CAS No. 17126-65-7
- Density 1.07g/cm3
- Solubility
- Melting Point
- Formula C7H11 N O2 S
- Boiling Point 261.6°Cat760mmHg
- Molecular Weight 173.236
- Flash Point 112°C
- Transport Information
- Appearance
- Safety A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
- Risk Codes 20/21/22-36/37/38
-
Molecular Structure
- Hazard Symbols A poison.
- Synonyms Butyricacid, 4-isothiocyanato-, ethyl ester (8CI); Ethyl 4-isothiocyanatobutanoate;Ethyl 4-isothiocyanatobutyrate
- PSA 70.75000
- LogP 1.43250
Ethyl 4-isothiocyanatobutanoate Chemical Properties
IUPAC Name: Ethyl 4-isothiocyanatobutanoate
Synonyms of Ethyl 4-isothiocyanatobutanoate (CAS NO: 17126-65-7): 4-Isothiocyanatobutanoic acid ethyl ester ; E-4IB ; Butanoic acid, 4-isothiocyanato-, ethyl ester
CAS NO: 17126-65-7
Molecular Formula of Ethyl 4-isothiocyanatobutanoate (CAS NO: 17126-65-7): C7H11NO2S
Molecular Weight: 173.2327
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 70.75 Å2
Index of Refraction: 1.496
Molar Refractivity: 47.23 cm3
Molar Volume: 161.4 cm3
Surface Tension: 34.2 dyne/cm
Density: 1.07 g/cm3
Flash Point: 112 °C
Enthalpy of Vaporization: 49.94 kJ/mol
Boiling Point: 261.6 °C at 760 mmHg
Vapour Pressure: 0.0114 mmHg at 25°C
Molecular Structure:
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Ethyl 4-isothiocyanatobutanoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 140mg/kg (140mg/kg) | Toxicology. Vol. 145, Pg. 217, 2000. |
Ethyl 4-isothiocyanatobutanoate Safety Profile
Risk Statements of Ethyl 4-isothiocyanatobutanoate (CAS NO: 17126-65-7): 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 2810
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
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