Simethicone supplier | CasNO.8050-81-5

Name
POLYDIMETHYLSILOXANE
EINECS
CAS No. 8050-81-5
Density 1 g/mL at 20oC
Solubility
Melting Point
Formula (C2H6OSi)n
Boiling Point 96.5oC at 760 mmHg
Molecular Weight 238.46100
Flash Point 6.3oC
Transport Information
Appearance
Safety 26-36-23-36/37
Risk Codes 36/37-20-62
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms Sentry Simethicone Emulsion;Sab Simplex;Mylicon Infant's Drops;phazyme;HSDB 3906;
PSA 52.60000
LogP 1.56770

Simethicone Specification

The Simethicone with CAS registry number of 8050-81-5 is also known as alpha-(Trimethylsilyl)-omega-methylpoly(oxy(dimethylsilylene)), mixture with silicon dioxide. The systematic name and product name are the same. It belongs to classification codes of Antiflatulent; Antifoaming agents; Dermatologic Agents; Emollients; Surface-Active Agents. What's more, this chemical is an anti-foaming agent that decreases the surface tension of gas bubbles.

Physical properties about Simethicone are: (1)ACD/LogP: 3.404; (2)ACD/LogD (pH 5.5): 3.40; (3)ACD/LogD (pH 7.4): 3.40; (4)ACD/BCF (pH 5.5): 227.67; (5)ACD/BCF (pH 7.4): 227.67; (6)ACD/KOC (pH 5.5): 1694.19; (7)ACD/KOC (pH 7.4): 1694.19; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Flash Point: 6.3 °C; (11)Enthalpy of Vaporization: 32.21 kJ/mol; (12)Boiling Point: 96.5 °C at 760 mmHg; (13)Vapour Pressure: 49.6 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:O=[Si]=O.O(C)[Si](O[Si](C)(C)C)(C)C;
(2)Std. InChI:InChI=1S/C6H18O2Si2.O2Si/c1-7-10(5,6)8-9(2,3)4;1-3-2/h1-6H3;;
(3)Std. InChIKey:AMTWCFIAVKBGOD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	900mg/kg (900mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	AMA Archives of Surgery. Vol. 78, Pg. 220, 1959.
dog	LD50	parenteral	20mg/kg (20mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES	AMA Archives of Surgery. Vol. 78, Pg. 220, 1959.

Product Name

POLYDIMETHYLSILOXANE

Simethicone Specification

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