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Name |
S-(Phenylmethyl) (1,2-dimethylpropyl)ethylcarbamothioate |
EINECS | N/A |
CAS No. | 85785-20-2 | Density | 1.033g/cm3 |
PSA | 45.61000 | LogP | 4.40620 |
Solubility | N/A | Melting Point |
<25℃ |
Formula | C15H23 N O S | Boiling Point | 357.4°Cat760mmHg |
Molecular Weight | 265.42 | Flash Point | 170°C |
Transport Information | N/A | Appearance | N/A |
Safety | Low toxicity by ingestion, inhalation, and skin contact. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | 51/53 |
Molecular Structure | Hazard Symbols | N | |
Synonyms |
Carbamothioicacid, (1,2-dimethylpropyl)ethyl-, S-(phenylmethyl) ester (9CI); Esprocarb; R22957; SC 2957 |
Article Data | 5 |
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
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. |
Reported in EPA TSCA Inventory.
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
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 .