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Ethyl isovalerate - ≥99.7%(GC), high purity , CAS No.108-64-5

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Ethyl isovalerate - ≥99.7%(GC), high purity , CAS No.108-64-5

10 Citations

COA

Grade & Purity:

≥99.7%(GC)

Cas Number: 108-64-5
Molecular Weight: 130.18
Beilstein Registry Number: 1744677
EC Number: 203-602-3
MDL number: MFCD00009203
PubChem CID: 7945
PubChem SID: 504751521

In stock

Item Number

E108585

Grouped product items
SKU	Size	Availability	Price
E108585-1ml	1ml	3	$70.90
E108585-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90
E108585-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$567.90

Basic Description

Synonyms	ETHYL ISOVALERATE \| 108-64-5 \| Ethyl 3-methylbutanoate \| Ethyl 3-methylbutyrate \| Ethylisovalerate \| Ethyl isopentanoate \| Isovaleric acid, ethyl ester \| Butanoic acid, 3-methyl-, ethyl ester \| Ethyl beta-methylbutyrate \| Ethyl isovalerianate \| 3-Methylbutyric acid ethyl est
Specifications & Purity	≥99.7%(GC)
Storage Temp	Room temperature
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	504751521
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751521
IUPAC Name	ethyl 3-methylbutanoate
INCHI	InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey	PPXUHEORWJQRHJ-UHFFFAOYSA-N
Smiles	CCOC(=O)CC(C)C
Isomeric SMILES	CCOC(=O)CC(C)C
WGK Germany	2
RTECS	NY1504000
UN Number	1993
Packing Group	I
Molecular Weight	130.18
Beilstein	1744677
Reaxy-Rn	1744677
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744677&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.

2 results found

Lot Number	Certificate Type	Date	Item
G2327187	Certificate of Analysis	Jul 14, 2023	E108585
G2327188	Certificate of Analysis	Jul 14, 2023	E108585

Chemical and Physical Properties

Solubility	Slightly soluble in water, miscible in alcohol, ether and benzene.
Refractive Index	1.397
Flash Point(°F)	80.6 °F
Flash Point(°C)	26℃
Boil Point(°C)	131-133°C
Melt Point(°C)	-99°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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yunzi Feng, Ziming Xie, Mingtao Huang, Xing Tong, Sha Hou, Hoeseng Tin, Mouming Zhao. (2023) Decoding temperature-driven microbial community changes and flavor regulation mechanism during winter fermentation of soy sauce. FOOD RESEARCH INTERNATIONAL, (113756).
2. Tian-Tian Ma, Cheng Yang, Hai-Long Qian, Piming Ma, Tianxi Liu, Xiu-Ping Yan. (2023) Trifluoromethyl-Functionalized 2D Covalent Organic Framework for High-Resolution Separation of Isomers. ACS Applied Materials & Interfaces, 15 (27): (32926–32934).
3. 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).
4. Baorong Chen, Xiaodan Wang, Yumeng Zhang, Wenyuan Zhang, Xiaoyang Pang, Shuwen Zhang, Jing Lu, Jiaping Lv. (2023) Determination and Risk Assessment of Flavor Components in Flavored Milk. Foods, 12 (11): (2151).
5. Yu Mu, Jun Huang, Rongqing Zhou, Suyi Zhang, Hui Qin, Hanlan Tang, Qianglin Pan, Huifang Tang. (2023) Characterization of the differences in aroma-active compounds in strong-flavor Baijiu induced by bioaugmented Daqu using metabolomics and sensomics approaches. FOOD CHEMISTRY, 424 (136429).
6. Dongwei Wang, Yani Deng, Xiao Chen, Kai Wang, Lei Zhao, Zichen Wang, Xuwei Liu, Zhuoyan Hu. (2023) Elucidating the effects of Lactobacillus plantarum fermentation on the aroma profiles of pasteurized litchi juice using multi-scale molecular sensory science. Current Research in Food Science, 6 (100481).
7. Lin Zhu, Xinlei Wang, Xuebo Song, Fuping Zheng, Hehe Li, Feng Chen, Yuhang Zhang, Fuyan Zhang. (2020) Evolution of the key odorants and aroma profiles in traditional Laowuzeng baijiu during its one-year ageing. FOOD CHEMISTRY, 310 (125898).
8. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao. (2015) Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test. FOOD CHEMISTRY, 167 (220).
9. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao. (2014) Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China. FOOD CHEMISTRY, 145 (126).
10. 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).

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