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4-Butoxyphenol - >97.0%(GC), high purity , CAS No.122-94-1

COA

Grade & Purity:

≥97%(GC)

Cas Number: 122-94-1
Molecular Weight: 166.22
MDL number: MFCD00002336
PubChem CID: 31233
PubChem SID: 488183139

In stock

Item Number

B152847

Grouped product items
SKU	Size	Availability	Price
B152847-5g	5g	5	$22.90
B152847-25g	25g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$86.90
B152847-100g	100g	3	$311.90
B152847-250g	250g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
B152847-500g	500g	1	$703.90

View related series

Oxygenated compounds (806) phenol (506)

Basic Description

Synonyms	BBL004099 \| 4-BUTOXYPHENOL \| 4-Butoxy-phenol \| 8188DBS68J \| W-108420 \| DTXSID4059548 \| Q27116038 \| Hydroquinone Monobutyl Ether \| NSC 60292 \| D70503 \| AKOS005431312 \| EN300-1273138 \| SCHEMBL57167 \| DS-6426 \| FT-0617936 \| STK396632 \| EINECS 204-583-4 \| HY-
Specifications & Purity	≥97%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 4-alkoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	4-alkoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	4-alkoxyphenols
Alternative Parents	Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
External Descriptors	aromatic ether
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	488183139
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183139
IUPAC Name	4-butoxyphenol
INCHI	InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
InChIKey	MBGGFXOXUIDRJD-UHFFFAOYSA-N
Smiles	CCCCOC1=CC=C(C=C1)O
Isomeric SMILES	CCCCOC1=CC=C(C=C1)O
WGK Germany	1
Molecular Weight	166.22
Reaxy-Rn	386979
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386979&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G2416596	Certificate of Analysis	Apr 26, 2024	B152847
G2416597	Certificate of Analysis	Apr 26, 2024	B152847
C23161453	Certificate of Analysis	Mar 21, 2023	B152847
K2222374	Certificate of Analysis	Nov 30, 2022	B152847
K2307072	Certificate of Analysis	Feb 23, 2022	B152847
D1818172	Certificate of Analysis	Feb 23, 2022	B152847

Chemical and Physical Properties

Boil Point(°C)	165 °C/2 mmHg
Melt Point(°C)	65-66°C
Molecular Weight	166.220 g/mol
XLogP3	2.900
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

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