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cis-3-Hexenyl isobutyrate - 97%, high purity , CAS No.41519-23-7

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 41519-23-7
Molecular Weight: 170.25
EC Number: 255-424-0
MDL number: MFCD00036529
PubChem CID: 5352539
PubChem SID: 488195383

In stock

Item Number

H117496

Grouped product items
SKU	Size	Availability	Price
H117496-25ml	25ml	8	$36.90
H117496-100ml	100ml	4	$129.90
H117496-500ml	500ml	1	$584.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	cis-3-Hexenyl isobutyrate \| cis-3-Hexenyl iso-butyrate \| Tox21_302630 \| (+/-)-Nomifensine maleat \| (3Z)-hexenyl isobutanoate \| Isobutyric Acid cis-3-Hexenyl Ester \| (Z)-Hex-3-en-1-yl isobutyrate \| Q27287956 \| FEMA NO. 3929 \| AKOS015960898 \| Propanoic acid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
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	488195383
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195383
IUPAC Name	[(Z)-hex-3-enyl] 2-methylpropanoate
INCHI	InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChIKey	OSMAJVWUIUORGC-WAYWQWQTSA-N
Smiles	CCC=CCCOC(=O)C(C)C
Isomeric SMILES	CC/C=C\CCOC(=O)C(C)C
WGK Germany	2
RTECS	UA2470200
Molecular Weight	170.25
Reaxy-Rn	20801916
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20801916&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.

4 results found

Lot Number	Certificate Type	Date	Item
I2201639	Certificate of Analysis	Jul 30, 2022	H117496
D2314531	Certificate of Analysis	Jul 30, 2022	H117496
I2201640	Certificate of Analysis	Jul 30, 2022	H117496
F1416015	Certificate of Analysis	Mar 08, 2022	H117496

Chemical and Physical Properties

Refractive Index	1.428
Flash Point(°F)	85 °C
Flash Point(°C)	85°C
Boil Point(°C)	92°C
Molecular Weight	170.250 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	170.131 Da
Monoisotopic Mass	170.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yinliang Wang, Huanhuan Dong, Yafei Qu, Yuxin Zhou, Jianhui Qin, Kebin Li, Chen Luo, Bingzhong Ren, Yazhong Cao, Shuai Zhang, Jiao Yin, Walter S. Leal. (2024) Circabidian rhythm of sex pheromone reception in a scarab beetle. CURRENT BIOLOGY, 34 (568).

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