CAS 18395-30-7 Isobutyltrimethoxysilane (HCID 87622)

Overview

used to make a nitric oxide-releasing xerogel

Names & identifiers

Preferred name: Isobutyltrimethoxysilane
IUPAC: trimethoxy(2-methylpropyl)silane
English name: Isobutyltrimethoxysilane
Molecular formula: C7H18O3Si
Molecular weight: 178.3

Names & synonyms

Isobutyltrimethoxysilane18395-30-7Trimethoxy(2-methylpropyl)silaneSilane, trimethoxy(2-methylpropyl)-BTMOS cpdDTXSID1066366RefChem:149116DTXCID3035846242-272-5Isobutyl(trimethoxy)silaneMFCD00051589S10175

Show more names

DK181AY-43-048DKFELEX0327Isobutyltrimethoxysilani-Butyltrimethoxysilane

Dynasylan IBTMOEINECS 242-272-5CI7810Prosil 178isobutyltrimethoxy silaneTrimethoxy isobutyl silaneEC 242-272-5SCHEMBL51784

Database identifiers

CAS: 18395-30-7
PubChem CID: 87622
DTXSID: DTXSID1066366
EC Number: 242-272-5
Nikkaji: J266.153E

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 93.6

Experimental & physicochemical properties

Chemical ClassesMetals -> Metalloid Compounds (Silicon)

Physical Description · 2 items

Dry Powder; Liquid

Colorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 0 °C · <0°C
Boiling point: 154 °C · 154 °C(lit.)
Density: 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
vapor pressure: 1.9 hPa · 1.9hPa at 25℃
refractive index: 20 · n20/D 1.396(lit.)
Flash point: 103 °F · 103 °F
storage temp.: 2 · 2-8°C
form: solution
Specific Gravity: 0.933 · 0.933
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
Sensitive: Moisture Sensitive
BRN: 2233976 · 2233976
InChI: 1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3
InChIKey: XYJRNCYWTVGEEG-UHFFFAOYSA-N
SMILES: CO[Si](CC(C)C)(OC)OC
LogP: 2.1 at · 2.1 at 20℃
CAS DataBase Reference: 18395 · 18395-30-7(CAS DataBase Reference)
NIST Chemistry Reference: 178 · Prosil 178(18395-30-7)
EPA Substance Registry System: Silane, trimethoxy(2-methylpropyl)- (18395-30-7)
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H336
Precautionary statements: 210 · P210-P302+P352
target organs: Central nervous system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 10 · 10-20/22-36/37/38
Safety Statements: 7 · 7-16-24-26-45-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 1 · 1
F: 21 · 21
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Skin · Flam. Liq. 3Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 16.1% (33 of 205) of reports.

Warning

H226 (83.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 205 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Silane, trimethoxy(2-methylpropyl)-

Silane, trimethoxy(2-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, trimethoxy(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)

REACH registered substance: Trimethoxy(2-methylpropyl)silane (EC: 242-272-5)

Silane, trimethoxy(2-methylpropyl)-: 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.

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryA skin irritant; Inhalation may cause drowsiness or dizziness; [ECHA REACH Registrations] Decomposed by water; A skin and strong eye irritant; [Alfa Aesar MSDS] See Methyltrimethoxysilane, Dimethoxydimethylsilane, and Methyl silicate.

Hazard Classes and CategoriesFlam. Liq. 3 (83.9%)

Safety data

F: 21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
risk_code: 10-20/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xn
safety_code: 7-16-24-26-45-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Central nervous system
Hazard statements: H226-H315-H336
REACH Registrations: Active
Hazard Classifications: Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used to make fine and large scale chemicals, computer-electronic-optical products, non-metallic mineral products (i.e. plasters and cement), in general manufacturing, building and construction work, non-metallic surface treatment products, adhesives/sealants, and as a laboratory reagent; [ECHA REACH Registrations]

Working with Glues and Adhesives [Category: Other]

U.S. Production2023: 75,000 - <500,000 lb

Consumer UsesOther

Industry UsesOther

Household ProductsInformation on 1 consumer products that contain Silane, trimethoxy(2-methylpropyl)- in the following categories is provided:

General Manufacturing Information · 2 items

Wholesale and Retail Trade

Silane, trimethoxy(2-methylpropyl)-: ACTIVE

Applications

UsesIsobutyl(trimethoxy)silane-modified substrates were used for the preparation of gold films by absorption and adsorption.{87} It may be used as silane precursors for the synthesis of xerogels.{88}