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Isoamyl butyrate - Standard for GC,≥99.5%(GC), high purity , CAS No.106-27-4

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Isoamyl butyrate - Standard for GC,≥99.5%(GC), high purity , CAS No.106-27-4

3 Citations

COA

Grade & Purity:

Standard for GC

≥99.5%(GC)

Cas Number: 106-27-4
Molecular Weight: 158.24
EC Number: 203-380-8
MDL number: MFCD00044888
PubChem CID: 7795

In stock

Item Number

I108581

Grouped product items
SKU	Size	Availability	Price	Qty
I108581-5ml	5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$31.90

Basic Description

Synonyms	iso-Amyl n-butyrate \| Isoamyl n-Butyrate \| B0760 \| LMFA07010574 \| CCRIS 6556 \| E75851 \| FT-0627328 \| 3-Methylbutyl butanoate \| AKOS015907968 \| Q49081089 \| Isoamyl butyrate, >=98%, FCC, FG \| Isoamyl butyrate, analytical standard \| isoamylbutyrate \| BRN 170
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	3-methylbutyl butanoate
INCHI	InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
InChIKey	PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Smiles	CCCC(=O)OCCC(C)C
Isomeric SMILES	CCCC(=O)OCCC(C)C
WGK Germany	1
RTECS	ET5034000
UN Number	3272
Molecular Weight	158.24
Reaxy-Rn	1702557
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702557&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
F2315079	Certificate of Analysis	Jun 07, 2023	I108581
H1520031	Certificate of Analysis	Apr 13, 2023	I108581
H1807057	Certificate of Analysis	Jun 14, 2022	I108581

Chemical and Physical Properties

Solubility	Easily soluble in organic solvents such as ethanol and ether. Almost insoluble in water, propylene glycol, and glycerol.
Refractive Index	1.411
Flash Point(°F)	57℃
Flash Point(°C)	57℃
Boil Point(°C)	184-185°C
Molecular Weight	158.240 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	158.131 Da
Monoisotopic Mass	158.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	108.000
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

How to Cite Aladdin Scientific Products?

1. Yaluan Bi, Xuan Zhang, Xuefei Chang, Jiaxin Li, Shan Xiao, Bo Zhang, Cong Dang, Linlin Sun, Hongwei Yao, Qi Fang, Fang Wang, Gongyin Ye. (2023) Olfactory behavioral responses of two Drosophila species and their pupal parasitoid to volatiles from bananas. PEST MANAGEMENT SCIENCE, 79 (11): (4309-4318).
2. Bingjie Huo, Xiaomin Qiu, Hongru Zhang, Yaning Zhang, Jingwei Yang, Zhaoyou Zhu, Yinglong Wang, Jun Gao. (2021) Isobaric Vapor–Liquid Equilibrium of Isoamyl Alcohol, Cyclohexane, n-Hexane, and the n-Heptane + Isoamyl Butyrate Binary System at 101.3 kPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 66 (12): (4476–4483).
3. Zhuomin Zhang, Yunjian Ma, Qingtang Wang, An Chen, Zhuoyan Pan, Gongke Li. (2013) Preparation of novel alumina nanowire solid-phase microextraction fiber coating for ultra-selective determination of volatile esters and alcohols from complicated food samples. JOURNAL OF CHROMATOGRAPHY A, 1290 (27).

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