tert-Butyl 5-iodopentanoate - ≥96% , CAS No.56198-37-9

CAS: 56198-37-9 Cat. No.: T589494 Molecular Weight: 284.13 PubChem CID: 14789672
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
SCHEMBL21811526 | TERT-BUTYL 5-IODOPENTANOATE | F71794 | starbld0038796 | t-butyl 5-iodopentanoate | tert-Butyl 5-iodovalerate | DTXSID50564046 | 5-Iodo-pentanoic acid tert-butyl ester | tert-Butyl5-Iodovalerate
Storage
Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
T589494-100mg
3

$21.90

$32.90
Save $11.00 (33.43%)
250mg
T589494-250mg
3

$53.90

$80.90
Save $27.00 (33.37%)
1g
T589494-1g
2

$214.90

$322.90
Save $108.00 (33.45%)
5g
T589494-5g
1

$832.90

$1,249.90
Save $417.00 (33.36%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application:

tert-Butyl 5-Iodovalerate is used as a reactant in the labeling of site-specific cell surface proteins with biophysical probes using biotin ligase.

Specifications

Synonyms
SCHEMBL21811526 | TERT-BUTYL 5-IODOPENTANOATE | F71794 | starbld0038796 | t-butyl 5-iodopentanoate | tert-Butyl 5-iodovalerate | DTXSID50564046 | 5-Iodo-pentanoic acid tert-butyl ester | tert-Butyl5-Iodovalerate
Specifications & Purity
≥96%
Storage
Store at 2-8°C, Protected from light, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥96%
Names and Identifiers
Canonical SmilesCC(C)(C)OC(=O)CCCCI
IUPAC Nametert-butyl 5-iodopentanoate
InChIKeyMUZIHYJJSZAJSY-UHFFFAOYSA-N
INCHI1S/C9H17IO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3
Isomeric SMILES CC(C)(C)OC(=O)CCCCI
PubChem CID 14789672
Molecular Weight 284.13

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Carboxylic acid esters  Monocarboxylic acids and derivatives  Organoiodides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl iodides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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 NumberCertificate TypeDateItem
J2318292Certificate of AnalysisSep 01, 2023 T589494
J2318293Certificate of AnalysisSep 01, 2023 T589494
J2318294Certificate of AnalysisSep 01, 2023 T589494
J2318295Certificate of AnalysisSep 01, 2023 T589494
Chemical and Physical Properties
Sensitivitylight sensitive
Molecular Weight284.130 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass284.027 Da
Monoisotopic Mass284.027 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity138.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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