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| CAS No.: | 301-10-0 |
|---|---|
| Name: | Stannous octoate |
| Molecular Structure: | |
|
|
|
| Formula: | C16H30O4Sn |
| Molecular Weight: | 405.10 |
| Synonyms: | Hexanoicacid, 2-ethyl-, tin(2+) salt (8CI,9CI);2-Ethylhexanoic acid tin(2+) salt;BTN-Cat 110;D 19;Dabco T 10;DabcoT 16;Desmorapid SO;Fascat 2003;KCS 405T;Kosmos 29;Kosmos K 5N;NSC 75857;Neostann U 28;Niax D 19;Nuocure 28;PC CAT T 9;S93-5037;Stannous 2-ethylcaproate;Stannous2-ethylhexoate;Stannous octoate;Stannous(II) ethylhexanoate;Stanoct;Stanoct T 90;Tegokat 129;Tin bis(2-ethylcaproate);Tin bis(2-ethylhexanoate);Tin octoate;Tin(2+) 2-ethylhexanoate;Tin(II) 2-ethylhexanoate;U 28;XY 70; |
| EINECS: | 206-108-6 |
| Density: | 1.251g/mLat 25°C(lit.) |
| Melting Point: | <-20°C |
| Boiling Point: | 228 °C at 760 mmHg |
| Flash Point: | 116.6 °C |
| Solubility: | Miscible with water. |
| Appearance: | liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 80.26000 |
| LogP: | 1.52460 |
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Specification
The Hexanoic acid,2-ethyl-, tin(2+) salt (2:1), with the CAS registry number 301-10-0 and EINECS registry number 206-108-6, has the systematic name of tin(2+) bis(2-ethylhexanoate). It belongs to the product category of Organic-metal salt. The molecular formula of the chemical is C16H30O4Sn.
The characteristics of Hexanoic acid,2-ethyl-, tin(2+) salt (2:1) are as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 123.98; (8)ACD/KOC (pH 7.4): 2.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 116.6 °C; (14)Enthalpy of Vaporization: 51.18 kJ/mol; (15)Boiling Point: 228 °C at 760 mmHg; (16)Vapour Pressure: 0.027 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
(2)InChI: InChI=1/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
(3)InChIKey: KSBAEPSJVUENNK-NUQVWONBAV