Dodecamethylpentasiloxane is a component of silicones and can be used as a silicone oil with insecticidal activity against bed bugs.

Physicochemical Properties

Molecular Formula	C12H36O4SI5
Molecular Weight	384.84
Exact Mass	384.145
CAS #	141-63-9
PubChem CID	8853
Appearance	Colorless liquid Liquid
Density	0.9±0.1 g/cm3
Boiling Point	284.4±23.0 °C at 760 mmHg
Melting Point	−81 °C(lit.)
Flash Point	117.4±23.0 °C
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.417
LogP	8.31
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	21
Complexity	313
Defined Atom Stereocenter Count	0
SMILES	[Si](C([H])([H])[H])(C([H])([H])[H])(O[Si](C([H])([H])[H])(C([H])([H])[H])O[Si](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])O[Si](C([H])([H])[H])(C([H])([H])[H])O[Si](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChi Key	FBZANXDWQAVSTQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3
Chemical Name	bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Toxicity/Toxicokinetics	Toxicity Summary IDENTIFICATION AND USE: Dodecamethylpentasiloxane is used as a basis for silicone oils or fluids designed to withstand extremes of temperature. It is also used as a foam suppressant in petroleum lubricating oil. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: No signs of dermal irritation, erythema and edema were seen at any scoring interval throughout the study on any animal. No toxic effects were observed when the test material was applied to the skin of rats for 24 hours at 2000 mg/kg bw. In a 28-day study no biologically significant, treatment-related effects were reported in rats given dodecamethylpentasiloxane by oral gavage at 25, 250 or 1000 mg/kg bw/day. It was negative in genotoxicity study with and without activation in Chinese hamster V79 cells. Gene mutation (Bacterial reverse mutation assay / Ames test) assay was negative with and without activation in Salmonella typhimurium strains TA98, TA100, TA1535 and TA1537 and Escherichia coli WP2 uvr A. Mutagenicity test to mammalian cells was negative with and without activation in L5178Y cells. ECOTOXICITY STUDIES: A 21-day EC50 of >47 ng/L and NOEC of >/=47 ng/L have been determined for the effects of the test substance on adult mortality, reproduction and growth of Daphnia magna. A 96-hour LC50 value of >75 ng/L has been determined for effects on mortality of Oncorhynchus mykiss. Non-Human Toxicity Values LD50 Rat dermal >2000 mg/kg bw
References	[1]. Luuc Keulen, et al. Bubble-Point Measurements and Modeling of Binary Mixtures of Linear Siloxanes. J Chem Eng Data. 2018;63:10.1021/acs.jced.8b00200. [2]. Chen Zha, et al. Toxicities of Selected Essential Oils, Silicone Oils, and Paraffin Oil Against the Common Bed Bug (Hemiptera: Cimicidae). J Econ Entomol. 2018 Feb 9;111(1):170-177.
Additional Infomation	Dodecamethylpentasiloxane is an organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Solubility Data

Solubility (In Vitro)

DMSO : 10 mg/mL (25.98 mM)

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5985 mL	12.9924 mL	25.9848 mL
	5 mM	0.5197 mL	2.5985 mL	5.1970 mL
	10 mM	0.2598 mL	1.2992 mL	2.5985 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.