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Propyl butyrate - Standard for GC, ≥99.5% (GC), high purity , CAS No.105-66-8

1 Citations

COA

Grade & Purity:

Standard for GC

≥99.5%(GC)

Cas Number: 105-66-8
Molecular Weight: 130.18
Beilstein Registry Number: 1745552
EC Number: 203-320-0
MDL number: MFCD00009396
PubChem CID: 7770

In stock

Item Number

P100043

Grouped product items
SKU	Size	Availability	Price	Qty
P100043-5ml	5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$28.90
P100043-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$126.90

Basic Description

Synonyms	EINECS 203-320-0 \| SCHEMBL125157 \| Propyl butyrate \| LMFA07010417 \| N-butyric aicd n-propyl ester \| Propylester kyseliny maselne \| FEMA No. 2934 \| UNII-CW590750SQ \| WE(3:0/4:0) \| Butyric acid-propyl ester \| LS-13335 \| n-Propanol butyrate \| Propylester kys
Specifications & Purity	Standard for GC, ≥99.5%(GC)
Shipped In	Normal
Grade	Standard for GC

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

IUPAC Name	propyl butanoate
INCHI	InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
InChIKey	HUAZGNHGCJGYNP-UHFFFAOYSA-N
Smiles	CCCC(=O)OCCC
Isomeric SMILES	CCCC(=O)OCCC
WGK Germany	2
RTECS	ET6200000
UN Number	3272
Packing Group	III
Molecular Weight	130.18
Beilstein	1745552
Reaxy-Rn	1745552
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745552&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.

3 results found

Lot Number	Certificate Type	Date	Item
H23031150	Certificate of Analysis	May 07, 2025	P100043
H23031128	Certificate of Analysis	May 07, 2025	P100043
B2120237	Certificate of Analysis	Dec 09, 2022	P100043

Chemical and Physical Properties

Solubility	Slightly soluble in water, soluble in alcohol and ether.
Refractive Index	1.4005
Flash Point(°F)	98.6 °F
Flash Point(°C)	35℃
Boil Point(°C)	143°C
Melt Point(°C)	-95°C
Molecular Weight	130.180 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
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	79.000
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

Citations of This Product

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