Basic information
- CAS
1066-40-6- Standard SMILES
C[Si](C)(C)O- InChIKey
AAPLIUHOKVUFCC-UHFFFAOYSA-N- Molecular formula
- C3H10OSi
- Average molar mass
- 90.2 g/mol
- Monoisotopic mass
- 90.05009147
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Trimethylsilanol
- IUPAC
- hydroxy(trimethyl)silane
- English name
- hydroxytrimethylsilane
- Molecular formula
- C3H10OSi
- Molecular weight
- 90.2
Names & synonyms
Show more names
Database identifiers
- CAS
1066-40-6- PubChem CID
- 66110
- DTXSID
DTXSID7061433- ChEMBL
CHEMBL4238997- UNII
- Z4BIN3300P
- EC Number
- 213-914-1
- Nikkaji
- J555J
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 28.4
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -4.5 °C · -4.5 °C
- Boiling point
- 90 ℃/760Torr · 90℃/760Torr
- Density
- 0.95 · 0.950
- vapor pressure
- 19 · 19-55hPa at 25℃
- refractive index
- 1.3889 · 1.3889
- Flash point
- 4 ° · 4°(39°F)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- liquid
- pka
- 12.67 · 12.67±0.58(Predicted)
- Specific Gravity
- 0.8139 · 0.8139
- color
- Clear, colourless
- Viscosity
- 3.73 mm2/s · 3.73mm2/s
- Water Solubility
- Soluble in water (1.00 mg/ml).
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- BRN
- 1361356 · 1361356
- Henry's Law Constant
- 7 · 7.0×10-2 mol/(m3Pa) at 25℃, Xu and Kropscott (2014)
- InChI
- 1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3
- InChIKey
- AAPLIUHOKVUFCC-UHFFFAOYSA-N
- SMILES
- C[Si](C)(C)O
- LogP
- 1.19 · 1.19-5.06 at 20-25℃
- FDA UNII
- 4 BIN3300P · Z4BIN3300P
- NIST Chemistry Reference
- Silanol, trimethyl(1066-40-6)
- EPA Substance Registry System
- Silanol, trimethyl- (1066-40-6)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H332-H412
- Precautionary statements
- 210 · P210-P233-P240-P241-P273-P304+P340+P312
- Hazard Codes
- F
- Risk Statements
- 11 · 11
- RIDADR
- 1993 BF · UN 1993BF 3 / PGII
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- HS Code
- 29319090 · 29319090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 InhalationAquatic · Acute Tox. 4 InhalationAquatic Chronic 3Flam. Liq. 2
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (5 of 232) of reports.
Danger
H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 232 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Regulatory Information
Chemical: Silanol, trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 02-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23873
Silanol, trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Reduced spontaneous motor activity, staggering gait, and decreased body weight observed in 28-day oral study of rats at the highest tested dose (640 mg/kg/day); No evidence of mutagenicity; [JECDB] Contains 10-30% hexamethyl disiloxane (CAS# 107-46-0) as an impurity; May cause mild eye irritation; [Wacker Silicones MSDS] See Hexamethyldisiloxane and Dimethylsilane.
Hazard Classes and Categories
Flam. Liq. 2 (97.8%)
Flammable liquids - Category 2
Safety & protection
Protective Action Criteria (PAC)
2.1 [ppm]
23 [ppm]
140 [ppm]
Toxicology
Safety data
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993BF 3 / PGII
- hs_code
- 29319090
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H332-H412
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Flam. Liq. 2
- Precautionary statements
- P210-P233-P240-P241-P273-P304+P340+P312
Chemistry & industry
Uses & manufacturing
Applications
DescriptionTrimethylsilanol has strong acidity compared with the corresponding carbon alcohols, can react with tetrahydrolithium aluminum, Si-OH bond can be reduced Si-H bond, can be used as a blocking agent for straight-chain polysiloxanes with hydrophobicity, it is the most important intermediate in the preparation of organosilicon alcohol salts and all kinds of polysiloxanes products including silicone oils, silicone rubbers and silicone resins, etc, and it has a wide range of application prospects.
UsesTrimethylsilanol used as a hydrophobic coat on silicate surfaces. Used as an as an antimicrobial agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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