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4-Trimethylsilyloxy-3-penten-2-one - >96.0%(GC)（sum of cis and trans）, high purity , CAS No.13257-81-3

COA

Grade & Purity:

≥96%(GC)
sum of cis and trans

Cas Number: 13257-81-3
Molecular Weight: 172.3
Beilstein Registry Number: 1759080
PubChem CID: 6059369
PubChem SID: 504763994

In stock

Item Number

T161747

Grouped product items
SKU	Size	Availability	Price
T161747-1ml	1ml	2	$9.90
T161747-5ml	5ml	3	$32.90
T161747-25ml	25ml	3	$126.90

View related series

ketone (798) Silicone coatings (2)

Basic Description

Synonyms	2-trimethylsiloxypent-2-ene-4-one \| 4-(Trimethylsiloxy)-3-penten-2-one, for GC derivatization, >=97.0% (GC) \| 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- \| 2-(Trimethylsiloxy)-2-penten-4-one \| 4-(Trimethylsiloxy)-3-penten-2-one \| EINECS 236-252-5 \| 4-(Trimet
Specifications & Purity	≥96%(GC), sum of cis and trans
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-(Trimethylsiloxy)-3-penten-2-one (trimethylsilyl ether of acetylacetone) has been used in the synthesis of isomers of organosilicon carbofunctional compounds: · 4-(3′-triethoxysilylpropylimino)pent-2-en-2-ol · 4-(3′-triethoxysilylpropylamino)pent-3-en-2-one

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organometallic compounds
  - Class Organometalloid compounds
    - Subclass Organosilicon compounds
      - Level5 Organoheterosilanes
        Level6 Trialkylheterosilanes

Kingdom	Organic compounds
Superclass	Organometallic compounds
Class	Organometalloid compounds
Subclass	Organosilicon compounds
Intermediate Tree Nodes	Organoheterosilanes
Direct Parent	Trialkylheterosilanes
Alternative Parents	Enones Acryloyl compounds Ketones Silyl enol ethers Organic metalloid salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trialkylheterosilane - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic metalloid salt - Silyl enol ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504763994
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763994
IUPAC Name	(E)-4-trimethylsilyloxypent-3-en-2-one
INCHI	InChI=1S/C8H16O2Si/c1-7(9)6-8(2)10-11(3,4)5/h6H,1-5H3/b8-6+
InChIKey	FBADCSUQBLLAHW-SOFGYWHQSA-N
Smiles	CC(=CC(=O)C)O[Si](C)(C)C
Isomeric SMILES	C/C(=C\C(=O)C)/O[Si](C)(C)C
WGK Germany	3
Molecular Weight	172.3
Beilstein	1759080
Reaxy-Rn	1759078

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
B23241037	Certificate of Analysis	Oct 14, 2022	T161747
B2324884	Certificate of Analysis	Oct 14, 2022	T161747
B23241036	Certificate of Analysis	Oct 14, 2022	T161747

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.452
Flash Point(°C)	58℃
Boil Point(°C)	66-68℃ (lit.) at 4 mmHg
Molecular Weight	172.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	172.092 Da
Monoisotopic Mass	172.092 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	177.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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