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4-sec-Butylphenol - >98.0%(GC), high purity , CAS No.99-71-8

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4-sec-Butylphenol - >98.0%(GC), high purity , CAS No.99-71-8

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 99-71-8
Molecular Weight: 150.22
Beilstein Registry Number: 6522
MDL number: MFCD00002375
PubChem CID: 7453
PubChem SID: 504751349

In stock

Item Number

S161081

Grouped product items
SKU	Size	Availability	Price
S161081-5g	5g	3	$9.90
S161081-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$25.90
S161081-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$92.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	UNII-WU4KME5B3X \| DTXCID502332 \| Tox21_300086 \| Q27116072 \| BS-23278 \| p-(1-Methylpropyl)phenol \| 4-sec-Butylphenol, 96% \| BDBM50410505 \| Z104484172 \| (+/-)-4-SEC-BUTYLPHENOL \| EINECS 202-781-5 \| 4-(1-Methylpropyl)phenol \| D95332 \| 4-(Butan-2-yl)phenol \|
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	4-sec-Butylphenol was used in biotransformation of 4-sec-Butylphenol by hydrocarbon utilizing bacteria Mycobacterium neoaurum and Nocardia cyriacigeorgica。

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors	alkylbenzene
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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	504751349
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751349
IUPAC Name	4-butan-2-ylphenol
INCHI	InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
InChIKey	ZUTYZAFDFLLILI-UHFFFAOYSA-N
Smiles	CCC(C)C1=CC=C(C=C1)O
Isomeric SMILES	CCC(C)C1=CC=C(C=C1)O
RTECS	SJ8924000
PubChem CID	7453
Molecular Weight	150.22
Beilstein	6522
Reaxy-Rn	1364714

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.

4 results found

Lot Number	Certificate Type	Date	Item
K2412518	Certificate of Analysis	Jul 04, 2024	S161081
K2426180	Certificate of Analysis	Jul 04, 2024	S161081
B1912173	Certificate of Analysis	Dec 07, 2022	S161081
B1912174	Certificate of Analysis	Dec 07, 2022	S161081

Chemical and Physical Properties

Solubility	Insoluble in water; Degree of Solubility in water: 960 mg/l 25 °C; Soluble in Methanol
Boil Point(°C)	110°C
Melt Point(°C)	60 °C
Molecular Weight	150.220 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104 Da
Monoisotopic Mass	150.104 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	103.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Lang Ming, Yuan-Wen Du, Ge-Ge Yuan, Qi Su, Xiao-Bing Shi, Huan Yu, Gong Chen. (2023) Spodoptera litura larvae are attracted by HvAV-3h-infected S. litura larvae-damaged pepper leaves. PEST MANAGEMENT SCIENCE, 79 (8): (2713-2724).

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