Skip to the beginning of the images gallery

1-Ethynyl-3,5-dimethoxybenzene - >98.0%(GC), high purity , CAS No.171290-52-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 171290-52-1
Molecular Weight: 162.19
MDL number: MFCD03839985
PubChem CID: 4661321
PubChem SID: 504763097

In stock

Item Number

E156083

Grouped product items
SKU	Size	Availability	Price
E156083-200mg	200mg	3	$41.90
E156083-250mg	250mg	3	$47.90
E156083-1g	1g	2	$169.90
E156083-5g	5g	1	$761.90
E156083-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,428.90
E156083-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$12,341.90

View related series

ether (317) Non heterocyclic block (8163)

Basic Description

Synonyms	1-ETHYNYL-3 5-DIMETHOXYBENZENE 98 \| AB92248 \| 1-Ethylnyl-3,5-dimethoxybenzene \| 1-Ethynyl-3,5-dimethoxybenzene, 98% (CP) \| EN300-1867071 \| SY050709 \| MFCD03839985 \| 3,5-Dimethoxyphenyl acetylene \| Q-102454 \| BCP10916 \| 3.5-dimethoxyphenylacetylene \| AKOS
Specifications & Purity	≥98%(GC)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenoxy compounds Anisoles Alkyl aryl ethers Acetylides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	504763097
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763097
IUPAC Name	1-ethynyl-3,5-dimethoxybenzene
INCHI	InChI=1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3
InChIKey	HUSBBWQIJMRKLI-UHFFFAOYSA-N
Smiles	COC1=CC(=CC(=C1)C#C)OC
Isomeric SMILES	COC1=CC(=CC(=C1)C#C)OC
WGK Germany	3
Molecular Weight	162.19
Reaxy-Rn	7288419
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7288419&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.

3 results found

Lot Number	Certificate Type	Date	Item
F2418017	Certificate of Analysis	Jun 22, 2024	E156083
L1911156	Certificate of Analysis	Sep 11, 2023	E156083
B2219121	Certificate of Analysis	Feb 23, 2022	E156083

Chemical and Physical Properties

Melt Point(°C)	44-48°C
Molecular Weight	162.180 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068 Da
Monoisotopic Mass	162.068 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	168.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration