ChemicalBook Product Catalog Chemical Reagents Organic reagents Siloxane 1,1,1,3,5,5,5-Heptamethyltrisiloxane

1,1,1,3,5,5,5-Heptamethyltrisiloxane

Product Name1,1,1,3,5,5,5-Heptamethyltrisiloxane
CAS1873-88-7
MFC7H22O2Si3
MW222.5
EINECS217-496-1
MOL File1873-88-7.mol

Chemical Properties

Melting point	<0°C
Boiling point	142 °C (lit.)
Density	0.819 g/mL at 25 °C (lit.)
vapor pressure	8.5hPa at 25℃
refractive index	n20/D 1.382(lit.)
Flash point	82 °F
storage temp.	15-25°C
solubility	Chloroform (Soluble), Methanol (Slightly)
form	clear liquid
color	Colorless to Almost colorless
Specific Gravity	0.8136
Water Solubility	Miscible with acetone, ethanol, diethyl ether. Insoluble in water.
Hydrolytic Sensitivity	3: reacts with aqueous base
BRN	1748455
Henry's Law Constant	1.1×10^-7 mol/(m³Pa) at 25℃, Ebert et al. (2023)
Stability	Stable. Flammable. Incompatible with strong oxidizing agents.
InChI	1S/C7H22O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,1-7H3
InChIKey	QNWOFLWXQGHSRH-UHFFFAOYSA-N
SMILES	C[SiH](O[Si](C)(C)C)O[Si](C)(C)C
LogP	6.2 at 20℃
CAS DataBase Reference	1873-88-7(CAS DataBase Reference)
NIST Chemistry Reference	Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-,(1873-88-7)
EPA Substance Registry System	Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- (1873-88-7)

Safety Information

Hazard Codes	Xi
Risk Statements	10-36/37/38
Safety Statements	26-36
RIDADR	UN 1993 3/PG 2
WGK Germany	3
F	10-21
TSCA	TSCA listed
HazardClass	3
PackingGroup	II
HS Code	29319090
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

Uses

Heptamethyltrisiloxane is used to catalyze reduction reactions in organic syntheses.

Description

Bis (trimethylsiloxy) methylsilane acts as an important raw material and intermediate used in organic synthesis, pharmaceutical and dyestuff. For example, it can be used for the platinum-catalyzed aromatic C-H silylation of arenes. It can also be used for the silylation of aryl iodides.

Chemical Properties

colourless liquid

Uses

1,1,1,3,5,5,5-Heptamethyltrisiloxane can be used for the aromatic C-H silylation of arenes in the presence of a platinum complex catalyst.
It can also be used as a reagent to synthesize:

3-Octyl-1,1,1,3,5,5,5-heptamethyltrisiloxane, an agricultural adjuvant and sensory performance enhancer used in cosmetic formulations.
Isoindigo-based conjugated polymer with siloxane-terminated solubilizing group.
Monosiloxy esters with a variety of acids.

Uses

Bis(trimethylsiloxy)methylsilane is an important raw material and intermediate used in organic synthesis, pharmaceutical and dyestuff.

Uses

1,1,1,3,5,5,5-Heptamethyltrisiloxane is a Basic material for synthetic polyalkyleneoxide modified heptamethyltrisiloxane which is a kind of specific structure surfactant for pesticide additives, coating additives, etc.

Flammability and Explosibility

Flammable

Synthesis

75-54-7

1066-40-6

1873-88-7

A solution of dichloromethylsilane (20 g, 0.174 mol) in hexane (60 mL) was slowly added dropwise at -30 °C to a mixed solution containing trimethylsilanol (40 g, 0.45 mol) and pyridine (33.2 g, 0.42 mol). The reaction mixture was gradually warmed to room temperature and stirred continuously for 16 hours. After completion of the reaction, the precipitate was removed by filtration and the filtrate was sequentially washed with water and dried over sodium sulfate. The final product was purified by atmospheric pressure distillation in 34% yield.

Toxics Screening Level

The ITSL for heptamethyltrisiloxane has been changed from 0.04 μg/m3 to 0.1 μg/m3 based on an annual averaging time.

References

https://www.alfa.com/zh-cn/catalog/H60586/
Murata, Miki, et al. "Silylation of Aryl Iodides with 1,1,1,3,5,5,5 -Heptamethyltrisiloxane Catalyzed by Transition-Metal Complexes." Synlett 2007.09(2007):1387-1390.
Murata, Miki, et al. "Platinum-Catalyzed Aromatic C—H Silylation of Arenes with 1,1,1,3,5,5,5-Heptamethyltrisiloxane." Cheminform38.50 (2007):no-no.

1,1,1,3,5,5,5-Heptamethyltrisiloxane

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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