Skip to the beginning of the images gallery

3-（4-methoxyphenyl)propan-1-ol - 98%, high purity , CAS No.5406-18-8

COA

Grade & Purity:

≥98%

Cas Number: 5406-18-8
Molecular Weight: 166.22
EC Number: 226-463-0
MDL number: MFCD00002952
PubChem CID: 79406
PubChem SID: 488185724

In stock

Item Number

M134198

Grouped product items
SKU	Size	Availability	Price
M134198-1g	1g	2	$26.90
M134198-5g	5g	3	$101.90
M134198-25g	25g	4	$370.90

Basic Description

Synonyms	3-(4-methoxyphenyl)propan-1-ol;3-(4-Methoxyphenyl)-1-propanol \| 3-(4-Methoxyphenyl)-1-propanol, 99% \| DTXSID20202382 \| MFCD00002952 \| AMY36545 \| 3-(4-Methoxyphenyl)propan-1-ol \| Benzenepropanol, 4-methoxy- \| S9PVU97PBV \| 3-(4-Methoxyphenyl)-1-propanol \| 1
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	3-(4-Methoxyphenyl)-1-propanol participates in β-alkylation of 1-phenylethanol catalyzed by RuCl2(DMSO)4.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	488185724
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185724
IUPAC Name	3-(4-methoxyphenyl)propan-1-ol
INCHI	InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3
InChIKey	NIIDHUCLROLCBU-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)CCCO
Isomeric SMILES	COC1=CC=C(C=C1)CCCO
WGK Germany	3
Molecular Weight	166.22
Reaxy-Rn	2084391
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084391&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
E2204226	Certificate of Analysis	Feb 22, 2024	M134198
E2204235	Certificate of Analysis	Feb 22, 2024	M134198
L1715029	Certificate of Analysis	May 12, 2023	M134198

Chemical and Physical Properties

Refractive Index	n20/D 1.532(lit.)
Flash Point(°F)	>235.4 °F
Flash Point(°C)	>113 °C
Boil Point(°C)	164-168 °C/18 mmHg(lit.)
Melt Point(°C)	26°C(lit.)
Molecular Weight	166.220 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	166.099 Da
Monoisotopic Mass	166.099 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	106.000
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