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1-Pentyn-3-ol - >97.0%(GC), high purity , CAS No.4187-86-4

COA

Grade & Purity:

≥97%(GC)

Cas Number: 4187-86-4
Molecular Weight: 84.12
EC Number: 224-063-0
MDL number: MFCD00004572
PubChem CID: 92981
PubChem SID: 488186752

In stock

Item Number

P138822

Grouped product items
SKU	Size	Availability	Price
P138822-1g	1g	2	$17.90
P138822-5g	5g	9	$67.90
P138822-25g	25g	1	$267.90

View related series

alcohol (850) Oxygenated compounds (806)

Basic Description

Synonyms	EN300-82937 \| F0001-1172 \| EINECS 224-063-0 \| BRN 1098409 \| FT-0608207 \| 1-pentyne-3-ol \| MFCD00004572 \| ethynyl-ethyl carbinol \| 1-Pentyn-3-ol \| 1-Pentyn-3-ol, 98% \| NSC 60556 \| NSC60556 \| NSC-60556 \| A825686 \| P0069 \| AKOS009158851 \| 1-Pentine-3-ol \| DT
Specifications & Purity	≥97%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Secondary alcohols
Alternative Parents	Acetylides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
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	488186752
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186752
IUPAC Name	pent-1-yn-3-ol
INCHI	InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3
InChIKey	LBSKEFWQPNVWTP-UHFFFAOYSA-N
Smiles	CCC(C#C)O
Isomeric SMILES	CCC(C#C)O
WGK Germany	3
RTECS	SC4758500
PubChem CID	92981
UN Number	1986
Packing Group	III
Molecular Weight	84.12

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.

5 results found

Lot Number	Certificate Type	Date	Item
K2118338	Certificate of Analysis	Sep 15, 2023	P138822
K2118329	Certificate of Analysis	Sep 15, 2023	P138822
K2118339	Certificate of Analysis	Sep 15, 2023	P138822
D2325215	Certificate of Analysis	May 17, 2023	P138822
E1719049	Certificate of Analysis	Nov 11, 2022	P138822

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Refractive Index	1.434
Flash Point(°F)	84.2 °F
Flash Point(°C)	29℃
Boil Point(°C)	123-125℃
Molecular Weight	84.120 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	84.0575 Da
Monoisotopic Mass	84.0575 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	67.300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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