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1-Acetoxy-1,3-butadiene - 95%, cis trans mixture, high purity , CAS No.1515-76-0

COA

Grade & Purity:

≥95%
mixture of cis and trans isomers

Cas Number: 1515-76-0
Molecular Weight: 112.13
MDL number: MFCD00008714
PubChem CID: 5363433

In stock

Item Number

A463003

Grouped product items
SKU	Size	Availability	Price
A463003-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
A463003-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90
A463003-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$297.90

View related series

Fatty chain compounds (194)

Basic Description

Synonyms	1,3-Butadienyl acetate, (1E)- \| 3-methyl-2-pyrazoline-5-one \| UNII-N96404R1FH \| Butadienyl acetate \| 1,3-Butadienylester kyseliny octove \| di-iso-propylether \| [(1E)-buta-1,3-dienyl] acetate \| Isopropylester kyseliny chlormravenci [Czech] \| Q27259361 \| tr
Specifications & Purity	≥95%, mixture of cis and trans isomers
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Enol esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid esters
Direct Parent	Enol esters
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Enol ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as enol esters. These are ester derivatives of enols. They have the general formula RC=COC(=O)R' where R, R' = H or organyl group.
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

IUPAC Name	[(1E)-buta-1,3-dienyl] acetate
INCHI	InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+
InChIKey	NMQQBXHZBNUXGJ-SNAWJCMRSA-N
Smiles	CC(=O)OC=CC=C
Isomeric SMILES	CC(=O)O/C=C/C=C
WGK Germany	3
RTECS	EJ1225000
UN Number	1992
Packing Group	III
Molecular Weight	112.13
Reaxy-Rn	1743394
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743394&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
A2509449	Certificate of Analysis	Dec 27, 2024	A463003
A2509450	Certificate of Analysis	Dec 27, 2024	A463003
A2509455	Certificate of Analysis	Dec 27, 2024	A463003
A2509457	Certificate of Analysis	Dec 27, 2024	A463003
A2516024	Certificate of Analysis	Dec 27, 2024	A463003
A2516025	Certificate of Analysis	Dec 27, 2024	A463003

Chemical and Physical Properties

Refractive Index	1.469
Flash Point(°F)	91.4 °F
Flash Point(°C)	33 °C
Molecular Weight	112.130 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	112.052 Da
Monoisotopic Mass	112.052 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114.000
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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