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3-(Prop-2-yn-1-yloxy)propane-1，2-diol - ≥50%, high purity , CAS No.13580-38-6

COA

Grade & Purity:

≥50%

Cas Number: 13580-38-6
EC Number: 237-012-2
PubChem CID: 99775

In stock

Item Number

P695359

Grouped product items
SKU	Size	Availability	Price	Qty
P695359-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Glycerolipids
    - Subclass Glycerol ethers

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Glycerolipids
Subclass	Glycerol ethers
Intermediate Tree Nodes	Not available
Direct Parent	Glycerol ethers
Alternative Parents	Secondary alcohols 1,2-diols Dialkyl ethers Acetylides Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Glycerol ether - Secondary alcohol - 1,2-diol - Acetylide - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as glycerol ethers. These are lipids containing an ether derivative of glycerol.
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	3-prop-2-ynoxypropane-1,2-diol
INCHI	InChI=1S/C6H10O3/c1-2-3-9-5-6(8)4-7/h1,6-8H,3-5H2
InChIKey	WZGADLPIFFITSG-UHFFFAOYSA-N
Smiles	C#CCOCC(CO)O
Isomeric SMILES	C#CCOCC(CO)O
Alternate CAS	13580-38-6
PubChem CID	99775
NSC Number	215123

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	130.139 g/mol
XLogP3	-1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	130.063 Da
Monoisotopic Mass	130.063 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	102.000
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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