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1,2-Pentadiene - 95%, high purity , CAS No.591-95-7

COA

Grade & Purity:

≥95%

Cas Number: 591-95-7
Molecular Weight: 68.12
Beilstein Registry Number: 1(4)993
MDL number: MFCD00039943
PubChem CID: 11588
PubChem SID: 504752166

In stock

Item Number

P160269

Grouped product items
SKU	Size	Availability	Price	Qty
P160269-250mg	250mg	1	$104.90
P160269-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$322.90

View related series

Allenes (2) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 209-737-4 \| InChI=1/C5H8/c1-3-5-4-2/h5H,1,4H2,2H \| T72673 \| 1,2-PENTADIENE \| MFCD00039943 \| DTXSID40870643 \| Penta-1,2-diene \| P0805 \| 1,2-Pentadien \| TQ3OA4EJO9 \| ethyl allenoate \| CH2=C=CHCH2CH3 \| LVMTVPFRTKXRPH-UHFFFAOYSA-N \| Ethylallene \| UNII-
Specifications & Purity	≥95%
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 Allenes
  - Class Acyclic allenes

Kingdom	Organic compounds
Superclass	Allenes
Class	Acyclic allenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Acyclic allenes
Alternative Parents	Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyclic allene - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acyclic allenes. These are acyclic hydrocarbons (and by extension, derivatives formed by substitution) having two double bonds from one carbon atom to two others.
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	504752166
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752166
INCHI	InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3
InChIKey	LVMTVPFRTKXRPH-UHFFFAOYSA-N
Smiles	CCC=C=C
Isomeric SMILES	CCC=C=C
PubChem CID	11588
Molecular Weight	68.12
Beilstein	1(4)993
Reaxy-Rn	1731570

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.

2 results found

Lot Number	Certificate Type	Date	Item
C23021121	Certificate of Analysis	Feb 21, 2023	P160269
C23021131	Certificate of Analysis	Feb 21, 2023	P160269

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Refractive Index	1.42
Flash Point(°C)	-37 °C
Boil Point(°C)	45°C
Molecular Weight	68.120 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	68.0626 Da
Monoisotopic Mass	68.0626 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	47.100
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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