CAS 2916-76-9 Methyl (trimethylsilyl)acetate (HCID 76210)

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Basic information

CAS: 2916-76-9
Standard SMILES: COC(=O)C[Si](C)(C)C
InChIKey: JIHUZDFFYVRXKP-UHFFFAOYSA-N
Molecular formula: C6H14O2Si
Average molar mass: 146.26 g/mol
Monoisotopic mass: 146.07630622

Names & identifiers

Preferred name: Methyl (trimethylsilyl)acetate
IUPAC: methyl 2-trimethylsilylacetate
English name: Methyl (trimethylsilyl)acetate
Molecular formula: C6H14O2Si
Molecular weight: 146.26

Names & synonyms

2916-76-9Methyl (trimethylsilyl)acetateEINECS 220-845-0Acetic acid, 2-(trimethylsilyl)-, methyl esterDTXSID40183422RefChem:812440DTXCID50105913220-845-0Methyl 2-(trimethylsilyl)acetateMethyl trimethylsilylacetatemethyl 2-trimethylsilylacetateMethyl(trimethylsilyl)acetate

Show more names

METHYLTRIMETHYLSILICATEMethyl (trimethylsilyl)acetate,98%Trimethylsilylacetic acid methyl ester2-(Trimethylsilyl)acetic acid methyl ester2-[Dimethyl(methyl)silyl]acetic acid methyl ester

MFCD00008450trimethylsilanyl-acetic acid methyl esterAcetic acid, (trimethylsilyl)-, methyl esterSCHEMBL990791Methyl2-(trimethylsilyl)acetateSCHEMBL4464073JIHUZDFFYVRXKP-UHFFFAOYSA-Methyl trimethylsilylacetate, 97%

Database identifiers

CAS: 2916-76-9
PubChem CID: 76210
DTXSID: DTXSID40183422
EC Number: 220-845-0
Nikkaji: J303.525E

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 104

Experimental & physicochemical properties

Kovats Retention Index · 2 items

852

1093

Physicochemical properties

Boiling point: 38 · 38-39 °C13 mm Hg(lit.)
Density: 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.414(lit.)
Flash point: 91 °F · 91 °F
storage temp.: Flammables area
form: liquid
Specific Gravity: 0.89 · 0.890
Hydrolytic Sensitivity: 2 · 2: reacts with aqueous acid
BRN: 1098961 · 1098961
InChI: InChI=1S/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3
InChIKey: JIHUZDFFYVRXKP-UHFFFAOYSA-N
SMILES: C(OC)(=O)C[Si](C)(C)C
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: No
ridadr: UN 3272 3/PG 3
hs_code: 29319090
risk_code: 11-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code

Chemistry & industry

Applications

UsesMethyl 2-(Trimethylsilyl)acetate is a useful compound in the organic synthesis.

General DescriptionMethyl trimethylsilylacetate on reaction with lithium diisopropylamide in THF at -78°C yields methyl lithiotrimethylsilylacetate. It also undergoes Peterson olefination to yield mainly Z-isomers of steroid 17β-side chain methyl acrylates.