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4-Pentenal - 95% (containing 10% DCM stabilizer), high purity , CAS No.2100-17-6

COA

Grade & Purity:

≥95%
containing 10% DCM stabilizer

Cas Number: 2100-17-6
Molecular Weight: 84.13
MDL number: MFCD00151841
PubChem CID: 16418

In stock

Item Number

P100570

Grouped product items
SKU	Size	Availability	Price	Qty
P100570-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90
P100570-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$566.90

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Carbonyl compound (2335)

Basic Description

Synonyms	4-PENTENAL \| FT-0619354 \| EINECS 218-265-8 \| 4-PENTENAL [FHFI] \| EN300-128781 \| MFCD00151841 \| UNII-71K1W8950B \| 4-PENT-4-ENAL \| BRN 1734369 \| FEMA NO. 4262 \| pent-4-enal \| A4558 \| AKOS009157546 \| 4-Pentenal, AldrichCPR \| AI3-24690 \| QUMSUJWRUHPEEJ-UHFFFA
Specifications & Purity	≥95%, containing 10% DCM stabilizer
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： 4-Pentenal is used in the preparation of 6-octen-3-one by addition with ethylene using 2,4-pentanedionatobis(ethylene)rhodium(I) as a catalyst.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Alpha-hydrogen aldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes
Direct Parent	Alpha-hydrogen aldehydes
Alternative Parents	Short-chain aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an 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	pent-4-enal
INCHI	InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2
InChIKey	QUMSUJWRUHPEEJ-UHFFFAOYSA-N
Smiles	C=CCCC=O
Isomeric SMILES	C=CCCC=O
Molecular Weight	84.13
Reaxy-Rn	1734369
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734369&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in ether and acetone.
Sensitivity	Air sensitive.
Refractive Index	1.421
Flash Point(°F)	44°F
Flash Point(°C)	7°C
Boil Point(°C)	101-105°C
Molecular Weight	84.120 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	84.0575 Da
Monoisotopic Mass	84.0575 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	47.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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