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sec-Butyl 4-Hydroxybenzoate - 98%, high purity , CAS No.17696-61-6

COA

Grade & Purity:

≥98%

Cas Number: 17696-61-6
Molecular Weight: 194.23
MDL number: MFCD00059626
PubChem CID: 86607

In stock

Item Number

S161062

Grouped product items
SKU	Size	Availability	Price
S161062-5g	5g	2	$27.90
S161062-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90
S161062-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$303.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	SEC-BUTYL P-HYDROXYBENZOATE \| CS-0205286 \| A881490 \| Sodium diethylcarbamodithioate \| 4-Hydroxybenzoic Acid sec-Butyl Ester \| NCGC00249141-01 \| NCGC00257425-01 \| 2-(AMINOMETHYL)-1-METHYLIMIDAZOLE \| 2-phenylmethoxyethanamine \| 16V369U91O \| DTXCID3024607 \|
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzoic acid esters
        Level6 p-Hydroxybenzoic acid esters
        Level7 p-Hydroxybenzoic acid alkyl esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent	p-Hydroxybenzoic acid alkyl esters
Alternative Parents	Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-hydroxybenzoic acid alkyl ester - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
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

IUPAC Name	butan-2-yl 4-hydroxybenzoate
INCHI	InChI=1S/C11H14O3/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8,12H,3H2,1-2H3
InChIKey	ZUOTXZHOGPQFIU-UHFFFAOYSA-N
Smiles	CCC(C)OC(=O)C1=CC=C(C=C1)O
Isomeric SMILES	CCC(C)OC(=O)C1=CC=C(C=C1)O
PubChem CID	86607
Molecular Weight	194.23
Reaxy-Rn	2642003

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
D2528235	Certificate of Analysis	Apr 22, 2025	S161062
D2528220	Certificate of Analysis	Apr 22, 2025	S161062

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	210°C/25mmHg(lit.)
Melt Point(°C)	60 °C
Molecular Weight	194.230 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094 Da
Monoisotopic Mass	194.094 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183.000
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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