The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4-(benzyloxy)-2-methylbenzoic acid - 97%, high purity , CAS No.17819-91-9
Discover 4-(benzyloxy)-2-methylbenzoic acid by Aladdin Scientific in 97% for only $1,985.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(Benzyloxy)-2-methylbenzoic acid | 17819-91-9 | 4-Benzyloxy-2-methylbenzoic acid | 2-methyl-4-phenylmethoxybenzoic acid | MFCD00598375 | Benzoic acid, 2-methyl-4-(phenylmethoxy)- | SCHEMBL1022035 | DTXSID60611292 | GAKFWANCNDKESO-UHFFFAOYSA-N | 4-benzyloxy-2-methyl-benzo
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Toluene - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
2-methyl-4-phenylmethoxybenzoic acid
INCHI
InChI=1S/C15H14O3/c1-11-9-13(7-8-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKey
GAKFWANCNDKESO-UHFFFAOYSA-N
Smiles
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=O)O
Isomeric SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=O)O
Molecular Weight
242.274
Reaxy-Rn
2732647
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2732647&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
242.270 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
242.094 Da
Monoisotopic Mass
242.094 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
271.000
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.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
