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1-(2-Methylphenoxy)-2-propanol - 98%, high purity , CAS No.4317-61-7

COA

Grade & Purity:

≥98%

Cas Number: 4317-61-7
Molecular Weight: 166.22
MDL number: MFCD00191542
PubChem CID: 107264
PubChem SID: 488187399

In stock

Item Number

M158676

Grouped product items
SKU	Size	Availability	Price
M158676-1g	1g	3	$18.90
M158676-5g	5g	5	$69.90
M158676-25g	25g	2	$312.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	1-(2-Methylphenoxy)-2-propanol, AldrichCPR \| Propanol, 1(or 2)-phenoxy- \| 1-(o-Tolyloxy)propan-2-ol \| 4-06-00-01949 (Beilstein Handbook Reference) \| SCHEMBL3629149 \| 1-(2-Methylphenoxy)-2-propanol \| MFCD00191542 \| 1-(2-methylphenoxy)propan-2-ol \| DTXSID70
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Toluenes Alkyl aryl ethers Secondary alcohols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Secondary alcohol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488187399
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187399
IUPAC Name	1-(2-methylphenoxy)propan-2-ol
INCHI	InChI=1S/C10H14O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKey	ISIQEWJJVXFCDP-UHFFFAOYSA-N
Smiles	CC1=CC=CC=C1OCC(C)O
Isomeric SMILES	CC1=CC=CC=C1OCC(C)O
RTECS	UB9650000
Molecular Weight	166.22
Reaxy-Rn	2963088
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2963088&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.

6 results found

Lot Number	Certificate Type	Date	Item
F2303096	Certificate of Analysis	Apr 23, 2023	M158676
F2303117	Certificate of Analysis	Apr 23, 2023	M158676
F2303108	Certificate of Analysis	Apr 23, 2023	M158676
F2303095	Certificate of Analysis	Apr 23, 2023	M158676
F2303119	Certificate of Analysis	Apr 23, 2023	M158676
F2303094	Certificate of Analysis	Apr 23, 2023	M158676

Chemical and Physical Properties

Refractive Index	1.51
Flash Point(°C)	109 °C
Boil Point(°C)	130°C/12mmHg(lit.)
Molecular Weight	166.220 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
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	125.000
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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