Name: Fentin acetate
SKU: 900-95-8

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Basic Information

Molecular Structure:
CAS No.:	900-95-8
Name:	Fentin acetate
Article Data:	23

Formula:	C₂₀H₁₈O₂Sn
Molecular Weight:	409.072
Synonyms:	Sunitron A;Suzu;TPTA;Tin triphenyl acetate;Tinestan;Triphenylacetostannane;VP 19-40;Stannane,(acetyloxy)triphenyl- (9CI);Stannane, acetoxytriphenyl- (8CI);Triphenyltinacetate (6CI);(Acetyloxy)triphenylstannane;Acetatotriphenylstannane;Acetoxytriphenylstannane;Batasan;Betafen;Brestan;Brestan 60;Brestanid;ENT25208;GC 6936;Liromatin;Lirostanol;NSC 76068;Phentinacetate;Fentin acetate;
EINECS:	212-984-0
Density:	1.55 g/cm³
Melting Point:	118-122 °C
Boiling Point:	60 °C
Solubility:	water: 28 mg/L (20 °C)
Appearance:	white crystalline solid
Hazard Symbols:	N,T+
Risk Codes:	24/25-26-37/38-40-41-48/23-50/53-63
Safety:	26-28-36/37/39-45-60-61
Transport Information:	UN 3146
PSA:	26.30000
LogP:	2.21660

Synthetic route

: 892-20-6
triphenylstannane

: 64-19-7
acetic acid

: 900-95-8
triphenyltin acetate

Conditions

Conditions	Yield
In n-heptane reaction of excess (C6H5)3SnH on refluxing for 3 h;;	85%
In not given reaction at 70°C for 0.5 h;;	17%

: 64-19-7
acetic acid

triphenyl tin-hydroxide: triphenyl tin-hydroxide

: 900-95-8
triphenyltin acetate

: 892-20-6
triphenylstannane

: 2587-82-8
tributyllead acetate

: 900-95-8
triphenyltin acetate

Conditions

Conditions	Yield
In not given byproducts: (C2H5)3PbH;

: 159113-64-1
triphenyl(4-t-butylphenoxo)tin(IV)

: 900-95-8
triphenyltin acetate

Conditions

Conditions	Yield
With acetic acid In benzene mixt. refluxed, resulting solid washed with petroleum ether; resulting solid washed with petroleum ether, dried under reduced pressure, elem. anal.;

: 42441-88-3
(CO)3CrC6H5Sn(C6H5)3

: 900-95-8
triphenyltin acetate

Conditions

Conditions	Yield
With acetic acid
With CH3COOH

: 64-19-7
acetic acid

: 17421-63-5, 17421-65-7
(Z)-1-ethoxy-2-triphenylstannylethene

A: 900-95-8
triphenyltin acetate

B: 109-92-2
ethyl vinyl ether

Conditions

Conditions	Yield
In chloroform-d1 Kinetics; (Ar); addn. of a soln. of acetic acid in CDCl3 to a soln. of tin compd. in CDCl3 at room temp.; detected by NMR;

...Expand

: 64-19-7
acetic acid

: 17421-65-7, 17421-63-5
(E)-1-ethoxy-2-triphenylstannylethene

A: 900-95-8
triphenyltin acetate

B: 109-92-2
ethyl vinyl ether

Conditions

Conditions	Yield
In chloroform-d1 Kinetics; (Ar); addn. of a soln. of acetic acid in CDCl3 to a soln. of tin compd. in CDCl3 at room temp.; detected by NMR;

...Expand

: 19464-46-1
acetic acid-(2-triphenylstannyl-ethyl ester)

: 900-95-8
triphenyltin acetate

Conditions

Conditions	Yield
In neat (no solvent) byproducts: CH2CH2; decomposition above 180 °C;;
In neat (no solvent) byproducts: CH2CH2; decomposition above 180 °C;;
Multi-step reaction with 2 steps 1: water 2: CH3COOH / neat (no solvent) View Scheme

: 24509-93-1
(C6H5)3SnCH(CH3)CH(CH3)OH

: 900-95-8
triphenyltin acetate

Conditions

Conditions	Yield
With acetic acid In methanol Kinetics; byproducts: CH3CHCHCH3;
With acetic acid In methanol Kinetics; byproducts: CH3CHCHCH3;

: 23604-58-2
(C6H5)3SnCH2C(CH3)2OH

: 900-95-8
triphenyltin acetate

Conditions

Conditions	Yield
With acetic acid In methanol Kinetics; byproducts: CH2C(CH3)2;
With acetic acid In methanol Kinetics; byproducts: CH2C(CH3)2;

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Consensus Reports

EPA Extremely Hazardous Substances List. 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

The Fentin acetate, with the CAS registry number 900-95-8, is also known as Triphenylaceto stannane. It belongs to the product categories of Herbicide; Organotin Compound. Its EINECS number is 212-984-0. This chemical is an organotin compound with the formula C₂₀H₁₈O₂Sn and its molecular weight is 409.05. What's more, its systematic name is Triphenylstannanylium acetate. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides. Its classification codes are: (1)Agricultural Chemical; (2)Fungicide, bactericide, wood preservative; (3)Fungicides, industrial; (4)Herbicide; (5)Insect attractant, repellent and chemosterilant; (6)Molluscicide; (7)Mutation data; (8)Noxae; (9)Organometallic; (10)Pesticides; (11)Reproductive Effect; (12)Teratogens; (13)Tumor data. It is a colourless solid that is used as a fungicide.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic in contact with skin and if swallowed and is very toxic by inhalation. It is irritating to respiratory system and skin. It has a limited evidence of a carcinogenic effect and a risk of serious damage to eyes. This substance is toxic as it has a danger of serious damage to health by prolonged exposure through inhalation. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It has a possible risk of harm to the unborn child. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C.c3c([Sn+](c1ccccc1)c2ccccc2)cccc3
(2)Std. InChI: InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
(3)Std. InChIKey: WDQNIWFZKXZFAY-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	100mg/kg (100mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
chicken	LD	oral	> 300mg/kg (300mg/kg)		British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
chicken	LDLo	intraperitoneal	40mg/kg (40mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
guinea pig	LD50	intraperitoneal	3740ug/kg (3.74mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)	British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
guinea pig	LD50	oral	21mg/kg (21mg/kg)		"Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 127, 1971.
guinea pig	LDLo	skin	180mg/kg (180mg/kg)		British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
guinea pig	LDLo	skin	180mg/kg (180mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)	British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
mouse	LD50	intraperitoneal	7900ug/kg (7.9mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
mouse	LD50	intravenous	18mg/kg (18mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00648,
mouse	LD50	oral	81mg/kg (81mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
mouse	LD50	subcutaneous	44mg/kg (44mg/kg)		Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 281, 1973.
quail	LD50	oral	100mg/kg (100mg/kg)		Journal of Reproduction and Fertility. Vol. 48, Pg. 371, 1976.
rabbit	LD50	intraperitoneal	10mg/kg (10mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 432, 1963.
rabbit	LD50	oral	30mg/kg (30mg/kg)		"Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat	LD50	intraperitoneal	8500ug/kg (8.5mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
rat	LD50	intravenous	18mg/kg (18mg/kg)		Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 281, 1973.
rat	LD50	oral	125mg/kg (125mg/kg)		Tin and Its Uses. Vol. 43, Pg. 9, 1958.
rat	LD50	skin	450mg/kg (450mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 934, 1969.

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Analytical Methods

Specification