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Isopropyl Butyrate - >99.0%(GC), high purity , CAS No.638-11-9

COA

Grade & Purity:

≥99%(GC)

Cas Number: 638-11-9
Molecular Weight: 130.19
Beilstein Registry Number: 2(4)789
MDL number: MFCD00009390
PubChem CID: 61184
PubChem SID: 488183454

In stock

Item Number

I157502

Grouped product items
SKU	Size	Availability	Price
I157502-5ml	5ml	10	$9.90
I157502-25ml	25ml	8	$17.90
I157502-100ml	100ml	2	$61.90
I157502-500ml	500ml	2	$277.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	Isopropyl butyrate, >=98%, FG \| SCHEMBL120124 \| BUTANOIC ACID, 1-METHYLETHYL ESTER \| n-Butyric acid isopropyl ester \| Isopropyl butanoate \| Butyric acid, isopropyl ester \| LS-13337 \| UN2405 \| WE(2:0(1Me)/4:0) \| AKOS008948343 \| CHEBI:89718 \| Isopropyl buty
Specifications & Purity	≥99%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic 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 - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors	Wax monoesters
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

Pubchem Sid	488183454
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183454
IUPAC Name	propan-2-yl butanoate
INCHI	InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
InChIKey	FFOPEPMHKILNIT-UHFFFAOYSA-N
Smiles	CCCC(=O)OC(C)C
Isomeric SMILES	CCCC(=O)OC(C)C
WGK Germany	3
UN Number	2405
Packing Group	III
Molecular Weight	130.19
Beilstein	2(4)789
Reaxy-Rn	1745544
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745544&ln=

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.

8 results found

Lot Number	Certificate Type	Date	Item
B1824049	Certificate of Analysis	May 20, 2025	I157502
G2009202	Certificate of Analysis	May 09, 2024	I157502
I2203309	Certificate of Analysis	Jul 30, 2022	I157502
I2205129	Certificate of Analysis	Jul 30, 2022	I157502
I2205516	Certificate of Analysis	Jul 30, 2022	I157502
I2203310	Certificate of Analysis	Jul 30, 2022	I157502
D2315456	Certificate of Analysis	Jul 30, 2022	I157502
D2315460	Certificate of Analysis	Jul 30, 2022	I157502

Chemical and Physical Properties

Refractive Index	1.39
Flash Point(°C)	29 °C
Boil Point(°C)	130 °C
Molecular Weight	130.180 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	130.099 Da
Monoisotopic Mass	130.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	86.900
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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