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Triethoxy(2-methylpropyl)silane

HCID 87391
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
17980-47-1
Standard SMILES
CCO[Si](CC(C)C)(OCC)OCC
InChIKey
ALVYUZIFSCKIFP-UHFFFAOYSA-N
Molecular formula
C10H24O3Si
Average molar mass
220.38 g/mol
Monoisotopic mass
220.14947116

Names & identifiers

Preferred name
Triethoxy(2-methylpropyl)silane
IUPAC
triethoxy(2-methylpropyl)silane
English name
Triethoxyisobutylsilane
Molecular formula
C10H24O3Si
Molecular weight
220.38

Names & synonyms

Triethoxy(isobutyl)silane17980-47-1Isobutyltriethoxysilanetriethoxy(2-methylpropyl)silaneTriethoxyisobutylsilaneSilane, triethoxy(2-methylpropyl)-0YZ0G6Z2XH(2-Methylpropyl)triethoxysilaneDTXSID1044857DC-1-6403SILANE, TRIETHOXYISOBUTYL-DYNASYLAN BSM 100N
Show more names
IBTEODK134dynasylanibteoTriethoxy(isobutyl)Hydrophobicity silanei-Butytriethoxysilanei-Butyltriethoxysilane
J422.005FDTXCID9024857EC 402-810-3Z-6403DOW CORNING Z-6403 SILANERefChem:899458402-810-3605-871-6

Database identifiers

CAS
17980-47-1
PubChem CID
87391
DTXSID
DTXSID1044857
ChEMBL
CHEMBL3186627
UNII
0YZ0G6Z2XH
EC Number
402-810-3、605-871-6
Nikkaji
J422.005F

Properties

Computed structural properties

Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
14
Formal charge
0
Complexity
122

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point
190 · 190-191℃
Boiling point
165 °C/400 · 165 °C/400 mmHg (lit.) 190-191 °C (lit.)
Density
0.88 g/mL · 0.88 g/mL at 25 °C (lit.)
vapor pressure
33 Pa · 33Pa at 20℃
refractive index
20 · n20/D 1.4(lit.)
Flash point
138 °F · 138 °F
storage temp.
Inert atmosphere,Room Temperature
form
Liquid
Specific Gravity
0.91 · 0.91
color
Colorless to Almost colorless
Viscosity
1.4 mm2/s · 1.4mm2/s
Water Solubility
Insoluble in water.
Hydrolytic Sensitivity
7 · 7: reacts slowly with moisture/water

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 · 6 items

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Hazard information

Regulatory Information · 4 items

Chemical: Silane, triethoxy (2-methylpropyl)

Silane, triethoxy(2-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, triethoxy(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: Triethoxyisobutylsilane (EC: 402-810-3)

Silane, triethoxy(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4 items

Skin Irrit. 2 (100%)

Skin Corr. 1C (36.7%)

Skin irritation - category 2

Skin Irrit. 2

Safety data

F
21
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
ridadr
NA 1993 / PGIII
hs_code
29319090
risk_code
38

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
General Manufacturing InformationSilane, triethoxy(2-methylpropyl)-: ACTIVE
Applications · 1 item

UsesIt is used in a wide range of applications including silane coupling agent, silane adhesion promoter, silane hydrophobing agent, silane dispersing agent, silane cross linking agent, silane moisture scavenger, polypropylene catalyst, silicate stabilizer, polyurethane endcapper silane, silane drying agent, silane curing agent, silane reinforcer, silylating agent, silane reducing agent, silyl building blocks and synthons.

Upstream & downstream products

Upstream raw materials

ChloromethyltriethoxysilaneIsobutylmagnesium chloride2-Iodopropane2-Chloropropane2-Bromopropane1-Chloro-2-methylpropaneEthyl silicate

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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BRN
1750049 · 1750049
Henry's Law Constant
5.5 · 5.5×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Cosmetics Ingredients Functions
BINDING
InChI
1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3
InChIKey
ALVYUZIFSCKIFP-UHFFFAOYSA-N
SMILES
CCO[Si](CC(C)C)(OCC)OCC
CAS DataBase Reference
17980 · 17980-47-1(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
0 YZ0G6Z2XH · 0YZ0G6Z2XH
EPA Substance Registry System
Silane, triethoxy(2-methylpropyl)- (17980-47-1)
UNSPSC Code
12352103 · 12352103
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H227
Precautionary statements
210 e-P280a-P321-P332+P313-P403+P235-P501a · P210e-P280a-P321-P332+P313-P403+P235-P501a
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Xi
Risk Statements
38 · 38
Safety Statements
24 · 24
RIDADR
1993 · NA 1993 / PGIII
WGK Germany
1 · 1
F
21 · 21
TSCA
TSCA listed
HS Code
29319090 · 29319090
Storage Class
10 · 10 - Combustible liquids
Hazard Classifications
2 · Skin Irrit. 2
REACH Registrations
Active
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
24
Storage Class
10 - Combustible liquids
Hazard statements
H315-H227
REACH Registrations
Active
Hazard Classifications
Skin Irrit. 2
Precautionary statements
P210e-P280a-P321-P332+P313-P403+P235-P501a