Isobutylisopropyldimethoxysilane
Basic information
- CAS
111439-76-0- Standard SMILES
CO[Si](CC(C)C)(OC)C(C)C- InChIKey
XFAOZKNGVLIXLC-UHFFFAOYSA-N- Molecular formula
- C9H22O2Si
- Average molar mass
- 190.35 g/mol
- Monoisotopic mass
- 190.13890648
Names & identifiers
- Preferred name
- Isobutylisopropyldimethoxysilane
- IUPAC
- dimethoxy-(2-methylpropyl)-propan-2-ylsilane
- English name
- Isobutylisopropyldimethoxysilane
- Molecular formula
- C9H22O2Si
- Molecular weight
- 190.36
Names & synonyms
Isobutylisopropyldimethoxysilane111439-76-0Silane, dimethoxy(1-methylethyl)(2-methylpropyl)-2D1V3GHD2QUNII-2D1V3GHD2QDTXSID3073056EC 402-580-4DIMETHOXY(1-METHYLETHYL)(2-METHYLPROPYL)SILANERefChem:149113DTXCID3033228402-580-4dimethoxy-(2-methylpropyl)-propan-2-ylsilane
Show more names
DKSI113IBIP-donerEURENOR(R)DKFELEX0335IsobutylisopropyldimethoxysilanDIMETHOXYISOBUTYLISOPROPYLSILANEIsobutyl isopropyl methoxysilaneISOBUTYLISOPROPYLDIMETHOXYSILANE FOR SYNimethoxy-(2-methylpropyl)-propan-2-ylsilane
isobutyl(isopropyl)dimethoxysilaneMFCD00239345Silane,dimethoxy(1-methylethyl)(2-methylpropyl)-isobutyl-isopropyl-dimethoxy-silaneDimethoxy(2-methylpropyl)(propan-2-yl)silaneSCHEMBL204383XFAOZKNGVLIXLC-UHFFFAOYSA-NNS00077937
Database identifiers
- CAS
111439-76-0- PubChem CID
- 86305
- DTXSID
DTXSID3073056- UNII
- 2D1V3GHD2Q
- EC Number
- 402-580-4、682-466-0
- Nikkaji
- J1.558.077A
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 187 °C · 187°C
- Density
- 0.871 · 0.871
- vapor pressure
- 3.083 hPa · 3.083hPa at 25℃
- refractive index
- 1.4125 · 1.4125
- Flash point
- 50 °C · 50°C
- Specific Gravity
- 0.867 · 0.867
- Water Solubility
- 18 mg/L · 18mg/L at 25℃
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- LogP
- 5.1 at · 5.1 at 25℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 D1V3GHD2Q · 2D1V3GHD2Q
- EPA Substance Registry System
- Silane, dimethoxy(1-methylethyl)(2-methylpropyl)- (111439-76-0)
- Symbol(GHS)
- 2 · GHS02,GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Silane, dimethoxy(1-methylethyl) (2-methylpropyl)-
Silane, dimethoxy(1-methylethyl)(2-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, dimethoxy(1-methylethyl)(2-methylpropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Isobutylisopropyldimethoxysilane (EC: 402-580-4)
Isobutylisopropyldimethoxysilane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Flammable liquid - category 3
Flam. Liq. 3
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- risk_code
- 10-20/21/22-38-20
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
General Manufacturing Information
Plastics Material and Resin Manufacturing
Silane, dimethoxy(1-methylethyl)(2-methylpropyl)-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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