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78-04-6

Basic Information
CAS No.: 78-04-6
Name: Dibutyltin maleate
Molecular Structure:
Molecular Structure of 78-04-6 (Dibutyltin maleate)
Formula: C12H20O4Sn
Molecular Weight: 346.998
Synonyms: Dibutyltinmaleate (6CI);ADK Stab BT 53;Advastab T 290;Advastab T 340;Dibutyl(maleoyldioxy)tin;Dibutylstannylene maleate;Irgastab T 290;Irgastab T 4;KK 3206;KS 100A;KS 4C;Mark 2289;Mark BT 31;Markure UL 2;N 2000E;OTS 227;Stanclere T 157;StannBM;Stann MMS 22A;Stann RC 40F;Stann RC 71A;Stavinor 1300SN;T 501 (tin compound);TN 3J;TVS-MA 300;TVS-NK 220B;Tinstab BM 360;
EINECS: 201-077-5
Density: 1,318 g/cm3
Melting Point: 135-140°C(lit.)
Boiling Point: 324.1 °C at 760 mmHg
Flash Point: 149.8 °C
Solubility: Insoluble in water
Appearance: white powder
Hazard Symbols: VeryT+,DangerousN
Risk Codes: 24/25-26-36/37/38-50/53
Safety: 26-28-60-61-36/37/39-22
Transport Information: UN 3146 6.1/PG 2
PSA: 80.26000
LogP: 0.16980
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Dibutyltin Maleate, with the CAS registry number 78-04-6 and EINECS registry number 201-077-5, has the systematic name of 2,2-dibutyl-1,3,2-dioxastannepine-4,7-dione. It is a kind of white powder, and belongs to the following product categories: Classes of Metal Compounds; Sn (Tin) Compounds; Typical Metal Compounds; Organometallic Reagents; Organotin; Organotins. The molecular formula of the chemical is C12H20O4Sn. What's more, it can be prepared by DBTO and maleic anhydride, and because of its good heat resistance and transparency, it is always used as heat stablizer of polyethylene.

The physical properties of Dibutyltin Maleate are as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 52.6 Å2; (5)Flash Point: 149.8 °C; (6)Enthalpy of Vaporization: 56.61 kJ/mol; (7)Boiling Point: 324.1 °C at 760 mmHg; (8)Vapour Pressure: 0.00025 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1O[Sn](CCCC)(OC(=O)\C=C\1)CCCC
(2)InChI: InChI=1/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/b2-1-;;;/rC12H20O4Sn/c1-3-5-9-17(10-6-4-2)15-11(13)7-8-12(14)16-17/h7-8H,3-6,9-10H2,1-2H3
(3)InChIKey: ZBBLRPRYYSJUCZ-MTTWPLMWBH

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 470mg/kg (470mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rabbit LDLo skin 200mg/kg (200mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0571954,
rat LC50 inhalation 313mg/m3/4H (313mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0539847,