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Basic Information
CAS No.: 77-58-7
Name: Dibutyltin dilaurate
Molecular Structure:
Molecular Structure of 77-58-7 (Dibutyltin dilaurate)
Formula: C32H64O4Sn
Molecular Weight: 631.568
Synonyms: Dibutyltindilaurate (6CI);Stannane, dibutylbis(lauroyloxy)- (8CI);Stannane,dibutylbis[(1-oxododecyl)oxy]- (9CI);Tin, dibutylbis(lauroyloxy)- (7CI);Lauric acid, dibutylstannylene deriv. (8CI);ADK Stab BT 11;Advastab T 12P;BL42A;BT 11;BT 18;Butynorate;C 101 (stabilizer);CAT 11;CAT 11(catalyst);Cata-Chek 820;Cotin 200;DBTD;DBTDL;DBTL;DOD-D 82727;DXR 81;Dabco T 12;Dabco T 12N;Davainex;Desmorapid Z;Di-n-butyltin dilaurate;Dibutylbis(1-oxododecyloxy)stannane;Dibutylbis(laurato)tin;Dibutylstannylene dilaurate;Dibutyltin n-dodecanoate;Fascat 4202;Fomrez SUL 4;Jeffcat T12;KS 20;Kosmos 19;Lankromark LT 173;Liocat 118;Mark 1038;Mark BT 11;Mark BT 18;Meister ZL 4401;Metacure T 12;Metatin 712;NSC 2607;Neostann U100;Nitto 8501;Octaflow BT 71;
EINECS: 201-039-8
Density: 1.066g/mLat 25°C(lit.)
Melting Point: 22-24 °C
Boiling Point: 560.5 °C at 760 mmHg
Flash Point: 292.8 °C
Solubility: <0.1 g/100 mL at 20 °C in water
Appearance: yellow liquid
Hazard Symbols: VeryT+,DangerousN
Risk Codes: 22-26-36/38-50/53
Safety: 26-28-36/37-45-60-61
Transport Information: UN 2922 8/PG 3
PSA: 52.60000
LogP: 10.95700
Synthetic route
143-07-7

lauric acid

818-08-6

di(n-butyl)tin oxide

77-58-7

dibutyltin dilaurate

Conditions
ConditionsYield
at 20 - 60℃; for 2.5h; Temperature;97.2%
125610-44-8

Bu2Sn(CH2CH2OCO-n-C11H23)2

77-58-7

dibutyltin dilaurate

Conditions
ConditionsYield
In neat (no solvent) Kinetics; byproducts: C2H4; decompn. (140°C, 5 h);
143-07-7

lauric acid

683-18-1

dibutyltin chloride

77-58-7

dibutyltin dilaurate

Conditions
ConditionsYield
With sodium hydroxide In n-heptane at 50℃;
77-58-7

dibutyltin dilaurate

2530-87-2

3-Chloropropyltrimethoxysilan

161678-38-2

octakis(3-chloropropyl)octasilsesquioxane

Conditions
ConditionsYield
Stage #1: 3-Chloropropyltrimethoxysilan With hydrogenchloride In methanol at 20℃;
Stage #2: dibutyltin dilaurate In methanol for 48h;
35%
77-58-7

dibutyltin dilaurate

Conditions
ConditionsYield
In gaseous matrix deposition onto Ti plate by thermal pyrolysis in horizontal tube furnace; at ultrapure Ar flow rate 100 sccm; heating up to 350°C at a rate 50°C/min, kept for 1.5 h, naturally cooled to room temp.; detd. by SEM, XRD;
6779-66-4

diphenylphosphinic acid hydrazide

77-58-7

dibutyltin dilaurate

dibutyltin dilaurate{diphenylphosphinic acid hydrazide}

Conditions
ConditionsYield
In benzene to a soln. of hydrazide in anhydrous benzene at 20-25°C is added a soln. tin-compd. in a 1:1 mole ratio, the reaction mixt. is left for 12 h; detected by IR-spectroscopy;

tetrabutoxytitanium

543-80-6

barium(II) acetate

77-58-7

dibutyltin dilaurate

barium stannate titanate

Conditions
ConditionsYield
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C;
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C; ground in ball mill, 12h; dried...;

tetrabutoxytitanium

543-80-6

barium(II) acetate

77-58-7

dibutyltin dilaurate

Ba(Ti0.88Sn0.12)O3

Conditions
ConditionsYield
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C;
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C; ground in ball mill, 12h; dried...;

tetrabutoxytitanium

543-80-6

barium(II) acetate

77-58-7

dibutyltin dilaurate

barium stannate titanate

Conditions
ConditionsYield
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C;
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C; ground in ball mill, 12h; dried...;

tetrabutoxytitanium

543-80-6

barium(II) acetate

77-58-7

dibutyltin dilaurate

Ba(Ti0975Sn0.025)O3

Conditions
ConditionsYield
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C;
With acetic acid In ethanol soln. of C32H64O4Sn and CH3COOH added to Ti(OC4H9)4 with costant stirring for 30 min; Ba(CH3COO)2 added with constant stirring for 30 min; kept at 70°C for 24 h; calcined at 750,800,850,900,and 1000°C; ground in ball mill, 12h; dried...;
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Consensus Reports

DIBUTYLBIS(LAUROYLOXY)STANNANE is reported in EPA TSCA Inventory.

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

Analytical Methods

For occupational chemical analysis use NIOSH: Organotin Compounds, 5504.

Specification

Dibutyltin dilaurate(CAS NO.77-58-7)is also named as AI3-26331; Bis(lauroyloxy)di(n-butyl)stannane; Butynorate; CCRIS 4786; Cata-Chek 820; DBTL; DXR 81; Davainex; Di-n-butyltin dilaurate; Dibutyl-tin-dilaurate; Dibutyl-zinn-dilaurat; Dibutyl-zinn-dilaurat [German]; Dibutylbis(laurato)tin; Dibutylbis(lauroxy)stannane; Dibutylbis(lauroyloxy)tin.  Dibutyltin dilaurate is yellow liquid.  It is insoluble in water. It may be sensitive to air or heat. Dibutyltin dilaurate is strongly reactive with many other groups. It is incompatible with acids and bases and combustible.

Physical properties about Dibutyltin dilaurate are: (1)ACD/LogP: 5.028; (2)# of Rule of 5 Violations:1; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 627.67; (6)ACD/BCF (pH 7.4): 10.08; (7)ACD/KOC (pH 5.5): 2082.83; (8)ACD/KOC (pH 7.4): 33.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Flash Point: 134.1 °C ; (13)Enthalpy of Vaporization: 56.59 kJ/mol; (14)Boiling Point: 296.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000661 mmHg at 25°C

Uses of Dibutyltin dilaurate: Dibutyltin compounds are used mainly as additives in PVC plastic as a stabiliser. The substance prevents the plastic from being degraded during the heating which is necessary for the shaping of different products (108-200ºC). They are also used to accelerate the production (catalyse) of plastic, e.g. polyurethane plastics (soft foam plastic, adhesive/sealant), silicones (dental products, sealant/jointing compound).

When you are using Dibutyltin dilaurate, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
3. Wear suitable protective clothing and gloves;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
5. This material and/or its container must be disposed of as hazardous waste;
6. Avoid release to the environment. Refer to special instructions safety data sheet;

You can still convert the following datas into molecular structure:
(1)InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2;
(2)InChIKey=UKLDJPRMSDWDSL-UHFFFAOYSA-L;
(3)Smiles[Sn](OC(CCCCCCCCCCC)=O)(OC(CCCCCCCCCCC)=O)(CCCC)CCCC;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 2400mg/m3 (2400mg/m3)   Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (4), Pg. 36, 1995.
mouse LC50 inhalation 150mg/m3/2H (150mg/m3) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 66, 1999.
mouse LD50 intraperitoneal 180mg/kg (180mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (4), Pg. 36, 1995.
mouse LD50 oral 210mg/kg (210mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (4), Pg. 36, 1995.
rabbit LD skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0555424,
rabbit LD skin > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0555424,
rabbit LD50 oral 100mg/kg (100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: FATTY LIVER DEGERATION

BLOOD: PIGMENTED OR NUCLEATED RED BLLOD CELLS
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 66, 1999.
rat LD50 intravenous 33mg/kg (33mg/kg) LIVER: FATTY LIVER DEGERATION

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 66, 1999.
rat LD50 oral 175mg/kg (175mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 44, 1960.
 
rat LDLo intraperitoneal 85mg/kg (85mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 10, Pg. 16, 1955.