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Hexyl Butyrate - >98.0%(GC), high purity , CAS No.2639-63-6

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Hexyl Butyrate - >98.0%(GC), high purity , CAS No.2639-63-6

5 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 2639-63-6
Molecular Weight: 172.27
Beilstein Registry Number: 2(4)791
MDL number: MFCD00048884
PubChem CID: 17525
PubChem SID: 504752834

In stock

Item Number

H156884

Grouped product items
SKU	Size	Availability	Price
H156884-25ml	25ml	3	$37.90
H156884-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$133.90
H156884-500ml	500ml	3	$153.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	n-Hexyl butanoate \| SCHEMBL128437 \| Hexyl butanoate \| LMFA07010419 \| AKOS015903168 \| BRN 1754469 \| n-Butyric acid n-hexyl ester \| XAPCMTMQBXLDBB-UHFFFAOYSA-N \| NCGC00256849-01 \| EINECS 220-136-6 \| Tox21_302445 \| Butyric Acid Hexyl Ester \| DTXSID8047559 \|
Specifications & Purity	≥98%(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	504752834
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752834
IUPAC Name	hexyl butanoate
INCHI	InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChIKey	XAPCMTMQBXLDBB-UHFFFAOYSA-N
Smiles	CCCCCCOC(=O)CCC
Isomeric SMILES	CCCCCCOC(=O)CCC
RTECS	ET4203000
Molecular Weight	172.27
Beilstein	2(4)791
Reaxy-Rn	1754469
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754469&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.

6 results found

Lot Number	Certificate Type	Date	Item
B2511258	Certificate of Analysis	Jun 18, 2024	H156884
B2511280	Certificate of Analysis	Jun 18, 2024	H156884
D2425039	Certificate of Analysis	May 13, 2024	H156884
K2328192	Certificate of Analysis	Dec 01, 2023	H156884
B2307284	Certificate of Analysis	Feb 13, 2023	H156884
B2211053	Certificate of Analysis	Feb 18, 2022	H156884

Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°F)	81°C(lit.)
Flash Point(°C)	81°C(lit.)
Boil Point(°C)	205 °C
Molecular Weight	172.260 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	172.146 Da
Monoisotopic Mass	172.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	110.000
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. Jianjun Cheng, Jiawei Gui, Xiaoming Yao, Hong Zhao, Yujie Zhou, Yongjun Du. (2023) Functional Identification of Olfactory Receptors of Cnaphalocrocis medinalis (Lepidoptera: Crambidae) for Plant Odor. Insects, 14 (12): (930).
2. Chang He, Jingtao Zhou, Yuchuan Li, De zhang, Bernard Ntezimana, Junyu Zhu, Xiaoyong Wang, Wenluan Xu, Xiaoju Wen, Yuqiong Chen, Zhi Yu, Yu Wang, Dejiang Ni. (2023) The aroma characteristics of oolong tea are jointly determined by processing mode and tea cultivars. Food Chemistry-X, 18 (100730).
3. Xiaoying Li, Chunsheng Liu, Junkai Wu, Kai Su, Xiao Xiao, Libin Zhang, B. Loye Eberhart, Caixia Chen, Fuhang Song. (2025) Comprehensive investigation on the dynamic changes of volatile organic compounds in three peach cultivars during fruit development. FOOD RESEARCH INTERNATIONAL, 203 (115866).
4. Jian Ouyang, Ronggang Jiang, Huimin An, Xingchang Ou, Jing Wang, He Xie, Wenjie Fu, Jing Zhang, Hongyu Chen, Qi Liu, Juan Li, Haitao Wen, Ligui Xiong, Jian-an Huang, Zhonghua Liu. (2025) Decoding the specific minty-like aroma of ‘Rucheng baimaocha’ (camellia pubescens) black tea. Food Chemistry-X, 26 (102253).
5. Xiaoying Li, Chunsheng Liu, Junkai Wu, Xiao Xiao, Libin Zhang, Caixia Chen, Annette S. Wilson, Fuhang Song. (2024) Ester-related volatile compounds reveal the diversity and commonalities of different types of late-ripening peaches. JOURNAL OF FOOD SCIENCE, 89 (3): (1485-1497).

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