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| CAS No.: | 85785-20-2 |
|---|---|
| Name: | ESPROCARB |
| Molecular Structure: | |
|
|
|
| Formula: | C15H23 N O S |
| Molecular Weight: | 265.42 |
| Synonyms: | Carbamothioicacid, (1,2-dimethylpropyl)ethyl-, S-(phenylmethyl) ester (9CI); Esprocarb; R22957; SC 2957 |
| Density: | 1.033g/cm3 |
| Melting Point: | <25℃ |
| Boiling Point: | 357.4°Cat760mmHg |
| Flash Point: | 170°C |
| Hazard Symbols: | N |
| Risk Codes: | 51/53 |
| Safety: | Low toxicity by ingestion, inhalation, and skin contact. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 45.61000 |
| LogP: | 4.40620 |
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Chemistry
Molecule structure of S-(Phenylmethyl) (1,2-dimethylpropyl)ethylcarbamothioate (CAS NO.85785-20-2) :
IUPAC Name: S-benzyl N-ethyl-N-(3-methylbutan-2-yl)carbamothioate
Molecular Weight: 265.41422 g/mol
Molecular Formula: C15H23NOS
Density: 1.033 g/cm3
Boiling Point: 357.4 °C at 760 mmHg
Flash Point: 170 °C
Index of Refraction: 1.534
Molar Refractivity: 79.89 cm3
Molar Volume: 256.8 cm3
Polarizability: 31.67× 10-24 cm3
Surface Tension: 38.1 dyne/cm
Enthalpy of Vaporization: 60.28 kJ/mol
Vapour Pressure: 2.73E-05 mmHg at 25 °C
XLogP3: 4.6
H-Bond Acceptor: 1
Rotatable Bond Count: 6
Exact Mass: 265.150035
MonoIsotopic Mass: 265.150035
Topological Polar Surface Area: 20.3
Heavy Atom Count: 18
Complexity: 249
Canonical SMILES: CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1
InChI: InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3
InChIKey: BXEHUCNTIZGSOJ-UHFFFAOYSA-N
Storage Temp.: 0-6 °C
Toxicity Data With Reference
| 1. | orl-rat LD50:>2 g/kg | PEMNDP Pesticide Manual. 9 (1991),338. | ||
| 2. | skn-rat LD50:>2 g/kg | PEMNDP Pesticide Manual. 9 (1991),338. | ||
| 3. | unr-qal LD50:>2 g/kg | PEMNDP Pesticide Manual. 9 (1991),338. | ||
| 4. | ihl-uns LC50:>4 g/m3/4H | PEMNDP Pesticide Manual. 9 (1991),338. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion, inhalation, and skin contact. When heated to decomposition it emits toxic vapors of NOx and SOx.
Hazard Codes: 
N
Risk Statements: 51/53
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60
S60:This material and its container must be disposed of as hazardous waste.
RIDADR: UN3082 9/PG 3
RTECS: FD3830000
Specification
S-(Phenylmethyl) (1,2-dimethylpropyl)ethylcarbamothioate (CAS NO.85785-20-2) is also called Esprocarb ; Fuji grass ; S-Benzyl 1,2-dimethylpropyl(ethyl)thiocarbamate (IUPAC) ; SC 2957 ; Carbamothioic acid, (1,2-dimethylpropyl)ethyl-, S-
(phenylmethyl) ester .