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4-Iodobutyl Pivalate - ≥95%, high purity , CAS No.82131-05-3

COA

Grade & Purity:

≥95%

Cas Number: 82131-05-3
Molecular Weight: 284.13
PubChem CID: 11832941

In stock

Item Number

I726356

Grouped product items
SKU	Size	Availability	Price	Qty
I726356-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
I726356-1g	1g	2	$320.90

View related series

ester (85)

Basic Description

Specifications & Purity	≥95%
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 Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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	4-iodobutyl 2,2-dimethylpropanoate
INCHI	InChI=1S/C9H17IO2/c1-9(2,3)8(11)12-7-5-4-6-10/h4-7H2,1-3H3
InChIKey	MGIGUULSKMFMTP-UHFFFAOYSA-N
Smiles	CC(C)(C)C(=O)OCCCCI
Isomeric SMILES	CC(C)(C)C(=O)OCCCCI
PubChem CID	11832941
Molecular Weight	284.13

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
F2505399	Certificate of Analysis	May 26, 2025	I726356
F2505392	Certificate of Analysis	May 26, 2025	I726356
F2505398	Certificate of Analysis	May 26, 2025	I726356
F2505400	Certificate of Analysis	May 26, 2025	I726356

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	284.130 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	284.027 Da
Monoisotopic Mass	284.027 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	138.000
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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