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Polysiloxanes, di-Me(CAS No. 63148-62-9)

Polysiloxanes, di-Me C6H18OSi2 (cas 63148-62-9) Molecular Structure

63148-62-9 Structure

Identification and Related Records

【Name】
Polysiloxanes, di-Me
【CAS Registry number】
63148-62-9
【Synonyms】
Siloxanesand Silicones, di-Me
B 8919
BX 16-152B
BY 222-067R
DA 6523
DC 2-3150
DC 200-60M
DMS 1000
Dehesive 940A
Dehesive 942
Dicsilicone Softener 300
Dow Corning 3-4680
ECC 4865
F 370
FM 58
FZ 4174
GP 197
H 1-10000
K 901
KF9008
KF 96L5CS
KS 772
KS 778
L 6910
LDC 2577D
LS 5257
Levaslip 407
MED 6340
Magnasoft HWS
Matsumoto Silicone Softener 318
NUC Silicone L 9000
NuSil CV 2946
Nusil LS 6946
PLY 7511
Rhodorsil 340
RossilFluid
S 5100A
SFD 1
SH 200-1000CS
SLJ 1320
Sani-Pure
Silquat AT 5-49
Silquest PA 1
TC 1
TPR 6600
Tex 100
UV 9440E
V 12100
Versilic
X 21-3043
X 21-5613
X 21-5842
X 24-4044
X 62-7629
X 62-7655
X 62-7658
Y12147
ZBH 201
Polydimethylsiloxane
【EINECS(EC#)】
203-492-7
【Molecular Formula】
C6H18OSi2 (Products with the same molecular formula)
【Molecular Weight】
162.37932
【Inchi】
InChI=1S/C2H6OSi/c1-4(2)3/h1-2H3
【Canonical SMILES】
C[Si](=O)C
【MOL File】
63148-62-9.mol

Chemical and Physical Properties

【Appearance】
clear, colorless liquid
【Density】
0.963
【Melting Point】
-50℃
【Boiling Point】
101 °C(lit.)
【Refractive Index】
1.403-1.406
【Flash Point】
300℃
【Water】
PRACTICALLY INSOLUBLE
【Solubilities】
PRACTICALLY INSOLUBLE
【Color/Form】
CLEAR FLUIDS AVAILABLE IN WIDE RANGE OF VISCOSITIES
colorless fluid
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Storage temp】
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
【Spectral properties】
Index of refraction: 1.3770-1.4050 @ 20 deg C
【Computed Properties】
Molecular Weight:74.15394 [g/mol]
Molecular Formula:C2H6OSi
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:74.018791
MonoIsotopic Mass:74.018791
Topological Polar Surface Area:17.1
Heavy Atom Count:4
Formal Charge:0
Complexity:29
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
F: Flammable;
【Risk Statements】
11-65-48/23/24/25-36/38-46-45
【Safety Statements 】
S24/25
【Safety】
Hazard Codes:F,T
Risk Statements:11-65-48/23/24/25-36/38-46-45
11:Highly Flammable
65:Harmful: May cause lung damage if swallowed
48/23/24/25:Toxic: danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed
36/38:Irritating to eyes and skin
46:May cause heritable genetic damage
45:May cause cancer
Safety Statements:16-24/25-62-45-36/37-26-53
16:Keep away from sources of ignition - No smoking
24/25:Avoid contact with skin and eyes
62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
53:Avoid exposure - obtain special instruction before use
RIDADR:UN 1993 3/PG 2
WGK Germany:3
【Skin, Eye, and Respiratory Irritations】
The lower viscosity oils cause slight transient sensation of irritation when applied to rabbit or human eyes. /Silicone oils/
【Transport】
UN 1993 3
【Formulations/Preparations】
TWO EMULSION FORMULATIONS CONTAINING DIMETHYLPOLYSILOXANES ARE...SILICONE GIBSON BASE--DIMETHYLPOLYSILOXANE POLYMER (1000 CPS) 40 G...VANISIL SILICONE OINTMENT--DIMETHYLPOLYSILOXANE POLYMER (1000 CPS) 20 G.
SIMETHICONE...LIGHT-GRAY, TRANSLUCENT LIQ OF GREASY CONSISTENCY, IS MIXT OF LIQ DIMETHYLPOLYSILOXANES WITH ANTIFOAMING & WATER--REPELLENT PROPERTIES.
Available as pure material or formulated into pastes, greases, or emulsions in water.
【Other Preventative Measures】
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
The lower viscosity oils cause slight transient sensation of irritation when applied to rabbit or human eyes. /Silicone oils/
【Specification】

The Poly(dimethylsiloxane) with cas registry number of 63148-62-9 also has other registry numbers include 12648-49-6, 12684-12-7, 167748-54-1, 37221-45-7, 39476-41-0, 53125-20-5, 83047-13-6, 9049-10-9, and 9076-36-2. Its EINECS registry number is 203-492-7. This chemical belongs to the categories in Siloxanes; UVCBs-organic; Silane series; Alphabetical Listings; G-HAlphabetic; HA-HTAnalytical Standards; NMR Reference Standards; NMRStable Isotopes; Spectroscopy; Stable Isotopes; Essential Chemicals; Reagent Grade; Routine Reagents; Silicon oils; Polymer Science; Silicones. The superlist names about this chemical are Polydimethylsiloxane; Polydimethylsiloxane (10 centistoke); Polydimethylsiloxane (350 centistoke); Silicones and siloxanes, dimethyl. With appearance of viscous colourless liquid, it is stable but incompatible with strong oxidizing agents. This chemical is an antifoam agent used to cause artificial silicone embolism in rabbits; Hydrosystem is a modified poly(dimethylsiloxane) wetting agent that can be sprayed on prepared tooth surfaces.

Physical properties about this chemical are: (1)Density: 0.963; (2)Melting point: -50 °C; (3)Refractive index: 1.403-1.406; (4)Flash point: 300 °C; (5)Boiling Point: 101 °C(lit.); (6)Vapor Density: >1 (vs air); (7)Vapor Pressure: <5 mm Hg ( 25 °C); (8)Water solubility: practically insoluble.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes and skin. It is toxic by inhalation, in contact with skin and if swallowed. It may cause lung damage if swallowed and may cause heritable genetic damage and cancer. When using it, Wear suitable protective clothing and gloves to avoid contact with skin and eyes. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately (show the label whenever possible.). Keep away from sources of ignition. Avoid exposure - obtain special instructions before use.

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD oral > 10gm/kg (10000mg/kg)   National Technical Information Service. Vol. OTS0590148,
mouse LDLo intraperitoneal 16mL/kg (16mL/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASE IN HUMORAL IMMUNE RESPONSE

IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASE IN CELLULAR IMMUNE RESPONSE
National Technical Information Service. Vol. OTS0572697,
rabbit LC inhalation > 978gm/m3/7.5 (978000mg/m3)   National Technical Information Service. Vol. OTS0590149,
rabbit LD skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 1/14/1972,
rabbit LD skin > 10200mg/kg (10200mg/kg)   National Technical Information Service. Vol. OTS0572436,
rabbit LD50 skin > 2gm/kg (2000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0537687,
rat LD intramuscular > 1200uL/kg (1.2mL/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASE IN HUMORAL IMMUNE RESPONSE National Technical Information Service. Vol. OTS0572813,
rat LD oral > 50mL/kg (50mL/kg)   Union Carbide Data Sheet. Vol. 1/14/1972,
rat LD oral > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0572658,
rat LD50 oral > 17gm/kg (17000mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES National Technical Information Service. Vol. OTS0537687,
rat LD50 oral > 24gm/kg (24000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" National Technical Information Service. Vol. LMF-69,

【Report】

The Poly(dimethylsiloxane) with cas registry number of 63148-62-9 also has other registry numbers include 12648-49-6, 12684-12-7, 167748-54-1, 37221-45-7, 39476-41-0, 53125-20-5, 83047-13-6, 9049-10-9, and 9076-36-2. Its EINECS registry number is 203-492-7. This chemical belongs to the categories in Siloxanes; UVCBs-organic; Silane series; Alphabetical Listings; G-HAlphabetic; HA-HTAnalytical Standards; NMR Reference Standards; NMRStable Isotopes; Spectroscopy; Stable Isotopes; Essential Chemicals; Reagent Grade; Routine Reagents; Silicon oils; Polymer Science; Silicones. The superlist names about this chemical are Polydimethylsiloxane; Polydimethylsiloxane (10 centistoke); Polydimethylsiloxane (350 centistoke); Silicones and siloxanes, dimethyl. With appearance of viscous colourless liquid, it is stable but incompatible with strong oxidizing agents. This chemical is an antifoam agent used to cause artificial silicone embolism in rabbits; Hydrosystem is a modified poly(dimethylsiloxane) wetting agent that can be sprayed on prepared tooth surfaces.

Physical properties about this chemical are: (1)Density: 0.963; (2)Melting point: -50 °C; (3)Refractive index: 1.403-1.406; (4)Flash point: 300 °C; (5)Boiling Point: 101 °C(lit.); (6)Vapor Density: >1 (vs air); (7)Vapor Pressure: <5 mm Hg ( 25 °C); (8)Water solubility: practically insoluble.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes and skin. It is toxic by inhalation, in contact with skin and if swallowed. It may cause lung damage if swallowed and may cause heritable genetic damage and cancer. When using it, Wear suitable protective clothing and gloves to avoid contact with skin and eyes. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately (show the label whenever possible.). Keep away from sources of ignition. Avoid exposure - obtain special instructions before use.

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD oral > 10gm/kg (10000mg/kg)   National Technical Information Service. Vol. OTS0590148,
mouse LDLo intraperitoneal 16mL/kg (16mL/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASE IN HUMORAL IMMUNE RESPONSE

IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASE IN CELLULAR IMMUNE RESPONSE
National Technical Information Service. Vol. OTS0572697,
rabbit LC inhalation > 978gm/m3/7.5 (978000mg/m3)   National Technical Information Service. Vol. OTS0590149,
rabbit LD skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 1/14/1972,
rabbit LD skin > 10200mg/kg (10200mg/kg)   National Technical Information Service. Vol. OTS0572436,
rabbit LD50 skin > 2gm/kg (2000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0537687,
rat LD intramuscular > 1200uL/kg (1.2mL/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASE IN HUMORAL IMMUNE RESPONSE National Technical Information Service. Vol. OTS0572813,
rat LD oral > 50mL/kg (50mL/kg)   Union Carbide Data Sheet. Vol. 1/14/1972,
rat LD oral > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0572658,
rat LD50 oral > 17gm/kg (17000mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES National Technical Information Service. Vol. OTS0537687,
rat LD50 oral > 24gm/kg (24000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" National Technical Information Service. Vol. LMF-69,

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

HYDROLYSIS OF DIMETHYLDICHLOROSILANE FOLLOWED BY CONDENSATION OF THE RESULTING DIMETHYLSILANEDIOL (FLUID); RING OPENING OF CYCLIC SILOXANES FOLLOWED BY CATALYTIC POLYMERIZATION (ELASTOMER); HYDROLYSIS OF ORGANOCHLOROSILANES FOLLOWED BY CATALYTIC CONDENSATION (RESIN)
Dimethylsiloxane oligomers + hexamethyldisiloxane (acid-catalysed polymerisation)
U.S. Imports

(1972) NEGLIGIBLE
(1975) NEGLIGIBLE
Consumption Patterns

20X10+6 lbs estimated usage in US market (1973)
【Usage】
Lubricant.

Biomedical Effects and Toxicity

【Therapeutic Uses】
Limited trials of silicone oil ... in anterior chamber of PATIENTS have been made in treatment of bullous keratopathy ... . /Silicone oils/
Intravitreal injections of silicone oil exptl ... to replace cloudy vitreous or as aid in treatment of retinal detachment have generally ... well tolerated. ... Intraorbital injection ... for cosmetic effect after enucleation has been well tolerated initially ... . /Silicone oils/
【Biomedical Effects and Toxicity】
A SILICONE ANTIFOAM AGENT (USED IN THE PROCESSING OF FOODS) CONTAINING 94% POLYDIMETHYLSILOXANE SILICONE OIL & 6% FINELY DIVIDED SILICA WAS GIVEN IN THE DIET AT LEVELS OF 9.25 & 2.5% TO GROUPS OF MICE FOR 76 WEEKS FROM WEANING. ... NO SI WAS DETECTED IN THE BODY OF MICE GIVEN DIETS CONTAINING 2.5% ... /&/ NONE WAS DETECTABLE IN THE LIVER, KIDNEYS, SPLEEN OR PERIRENAL FAT OF MICE GIVEN /A SINGLE SC INJECTION OF 0.2 ML OF ANTIFOAM AT WEANING/. [CUTLER MG ET AL; FOOD COSMET TOXICOL 12 (4): 443 (1974)] PubMed Abstract

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
POLY(DIMETHYLSILOXANE) FLUIDS IN INTIMATE CONTACT WITH SOILS UNDERGO SILOXANE BOND REDISTRIBUTION & HYDROLYSIS RESULTING IN FORMATION OF LOW MOLECULAR WEIGHT CYCLIC & LINEAR OLIGOMERS. LOW MOLECULAR WEIGHT HYDROXYFUNCTIONAL HYDROLYSIS PRODUCTS ARE WATER SOLUBLE & CYCLICS & TRIMETHYLSILOXY-END-BLOCKED OLIGOMERS ARE VOLATILE, THUS PROVIDING MATERIALS WHICH CAN PARTITION FROM THE SOIL TO THE WATER & ATMOSPHERIC ENVIRONMENTAL COMPARTMENTS. CLAYS WERE THE CATALYTIC SOIL COMPONENT RESPONSIBLE FOR THE OLIGOMERIZATION & HYDROLYSIS REACTIONS.
TERRESTRIAL FATE: Based on a classification scheme(1), an average Koc value determined from seven soils of 590,000 L/kg +/- 510,000 L/kg(2), indicates that polydimethylsiloxanes are expected to be immobile in soil(SRC) although smaller siloxanes and water-soluble silanols that may occur in any polydimethylsiloxane preparation may have much smaller Koc values(2). Volatilization of polydimethylsiloxanes from moist soil surfaces is not expected to be an important fate process(SRC) given estimated Henry's Law constants of 4.4X10-12 and 3.7X10-24 atm-cu m/mole for penta- and decylpolydimethylsiloxane, respectively, using a fragment constant estimation method(3). Polydimethylsiloxanes are not expected to volatilize from dry soil surfaces(SRC) based upon estimated vapor pressures of 1.3X10-4 and 4.4X10-8 mm Hg at 25 deg C for pentapolydimethylsiloxane and decylpolydimethylsiloxane, respectively, determined from a fragment constant estimation method(4).
AQUATIC FATE: Based on a classification scheme(1) and an average Koc of 590,000 +/- 510,000 L/kg(2) indicates that polydimethylsiloxanes are expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon estimated Henry's Law constants of 4.4X10-12 and 3.7X10-24 atm-cu m/mole for pentapolydimethylsiloxanes and decylpolydimethylsiloxane, respectively, developed using a fragment constant estimation method(4). According to a classification scheme(5) and measured BCFs of 2.9-1,250 for silver carp, for molecular weights of 1,200 and 56,000, respectively(6), the potential for bioconcentration in aquatic organisms is low to very high. Expectations of high BCFs for polydimethylsiloxanes with high octanol/water partition coefficients may not be realized because of the effect of molecular size which precludes membrane permeability(7). Lower oligomeric forms are exceptions to this generalization(7). Polydimethylsiloxanes are chemically stable and resists oxidation, reduction, hydrolysis, and photodegradation(8).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), lower molecular weight polydimethylsiloxanes, such as pentapolydimethylsiloxanes, which has an estimated vapor pressure of 1.3X10-4 mm Hg at 25 deg C((SRC), determined from a fragment constant estimation method(2)), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Higher molecular weight polydimethylsiloxanes, such as decylpolydimethylsiloxane, which has an estimated vapor pressure of 4.4X10-8 mm Hg at 25 deg C, ((SRC), determined from a fragment constant estimation method(2)) is expected to exist solely in the particulate phase in the ambient atmosphere. Vapor-phase polydimethylsiloxanes are degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air for pentapolydimethylsiloxanes is estimated to be 32 hours(SRC), calculated from a rate constant of 1.2X10-11 cu cm/molecule-sec at 25 deg C(SRC) determined using a structure estimation method(3). Particulate-phase polydimethylsiloxanes may be removed from the air by wet and dry deposition(SRC).

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