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Cas Database |
| Name |
Acetoxytrihexyltin |
EINECS | N/A | |
| CAS No. | 2897-46-3 | Density | g/cm3 | |
| PSA | 37.30000 | LogP | 6.19130 | |
| Solubility | N/A | Melting Point |
N/A |
|
| Formula | C20H42 O2 Sn | Boiling Point | 453.2°Cat760mmHg | |
| Molecular Weight | 433.262 | Flash Point | 227.9°C | |
| Transport Information | N/A | Appearance | N/A | |
| Safety | Poison by skin contact and intravenous routes. Moderately toxic by ingestion. See also TIN COMPOUNDS. When heated to decomposition it emits acrid smoke and Sn+ fumes. | |||
Analytical Methods: | For occupational chemical analysis use NIOSH: organotin compounds 5504. |
Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | A poison by skin contact. Moderately toxic by ingestion. TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin). | |
| Synonyms |
Stannane,(acetyloxy)trihexyl- (9CI); Stannane, acetoxytrihexyl- (8CI); Tin,acetoxytrihexyl- (7CI); Trihexyltin acetate (6CI); Acetoxytrihexyltin |
Article Data | 3 |
Acetoxytrihexyltin Chemical Properties
The Molecular Structure of Acetoxytrihexyltin (CAS NO.2897-46-3):
Molecular Formula: C20H42O2Sn
Molecular Weight: 433.256280 g/mol
IUPAC: 2-trihexylstannylacetic acid
Classification: Organometallic
Nominal Mass: 434 Da
Average Mass: 433.2563 Da
Monoisotopic Mass: 434.22068 Da
ACD/LogP: 11.09
ACD/LogD (pH 5.5): 10.31
ACD/LogD (pH 7.4): 8.52
ACD/BCF (pH 5.5): 1000000
ACD/BCF (pH 7.4): 420379
ACD/KOC (pH 5.5): 4243378.5
ACD/KOC (pH 7.4): 68273.38
Polar Surface Area: 26.3Å2
Flash Point: 227.9 °C
Enthalpy of Vaporization: 78.09 kJ/mol
Boiling Point: 453.2 °C at 760 mmHg
Vapour Pressure: 1.79E-09 mmHg at 25°C
InChI: InChI=1/3C6H13.C2H3O2.Sn/c3*1-3-5-6-4-2;1-2(3)4;/h3*1,3-6H2,2H3;1H2,(H,3,4);/rC20H42O2Sn/c1-4-7-10-13-16-23(19-20(21)22,17-14-11-8-5-2)18-15-12-9-6-3/h4-19H2,1-3H3,(H,21,22)
Smiles: [Sn](CCCCCC)(CCCCCC)(CCCCCC)CC(O)=O
Acetoxytrihexyltin Toxicity Data With Reference
| 1. | orl-rat LD50:1000 mg/kg | BJIMAG British Journal of Industrial Medicine. 15 (1958),15. | ||
| 2. | skn-rat LD50:500 mg/kg | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague,Czechoslovakia, Avicenum.: 1986,1254. | ||
| 3. | ivn-rat LDLo:6 mg/kg | BJIMAG British Journal of Industrial Medicine. 15 (1958),15. |
Acetoxytrihexyltin Safety Profile
Poison by skin contact and intravenous routes. Moderately toxic by ingestion. See also TIN COMPOUNDS. When heated to decomposition it emits acrid smoke and Sn+ fumes.
Acetoxytrihexyltin Standards and Recommendations
OSHA PEL: TWA 0.1 mg(Sn)/m3 (skin)
ACGIH TLV: TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
NIOSH REL: (Organotin Compounds) TWA 0.1 mg(Sn)/m3
Acetoxytrihexyltin Analytical Methods
For occupational chemical analysis use NIOSH: organotin compounds 5504.
Acetoxytrihexyltin Specification
Acetoxytrihexyltin (CAS NO.2897-46-3) is also called as BRN 3953274 ; Tin, trihexyl-, acetate ; Tri-n-hexylzinnacetat ; Tri-n-hexylzinnacetat [German] ; Trihexylstannium acetate ; Trihexyltin acetate ; Stannane, acetoxytrihexyl- . Analytical Methods: For occupational chemical analysis use NIOSH: organotin compounds 5504.
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