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Cas Database |
| Name |
Acetic acid,1,1'-(dioctylstannylene) ester |
EINECS | 241-555-0 |
| CAS No. | 17586-94-6 | Density | N/A |
| PSA | 52.60000 | LogP | 6.27580 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H40O4Sn | Boiling Point | N/A |
| Molecular Weight | 463.245 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Dioctyltindiacetate (6CI);Stannane, bis(acetyloxy)dioctyl- (9CI);Stannane,diacetoxydioctyl- (8CI);Tin, diacetoxydioctyl- (7CI);Dioctyldiacetoxytin;NSC65514;AI3-28299; |
Article Data | 3 |
Acetic acid,1,1'-(dioctylstannylene) ester Specification
The Acetic acid,1,1'-(dioctylstannylene) ester with CAS registry number of 17586-94-6 is also known as Dioctyltindiacetate (6CI). The IUPAC name is [Acetyloxy(dioctyl)stannyl] acetate. Its EINECS registry number is 241-555-0. In addition, the formula is C20H40O4Sn and the molecular weight is 463.24.
Physical properties about Acetic acid,1,1'-(dioctylstannylene) ester are: (1)H-Bond Acceptor: 4; (2)Rotatable Bond Count: 18; (3)Exact Mass: 464.194856; (4)MonoIsotopic Mass: 464.194856; (5)Topological Polar Surface Area: 52.6; (6)Heavy Atom Count: 25; (7)Complexity: 324; (8)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C)OC(=O)C
2. InChI: InChI=1S/2C8H17.2C2H4O2.Sn/c2*1-3-5-7-8-6-4-2;2*1-2(3)4;/h2*1,3-8H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
3. InChIKey: CQQXCSFSYHAZOO-UHFFFAOYSA-L
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 430mg/m3 (430mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 116, 1999. |
| mouse | LDLo | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 116, 1999. |
| rat | LD50 | oral | 154mg/kg (154mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 116, 1999. |
| rat | LD50 | subcutaneous | 117mg/kg (117mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 116, 1999. |
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