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Isoamyl Lactate - >98.0%(GC), high purity , CAS No.19329-89-6
Basic Description
Synonyms
FT-0627332 | EINECS 242-966-8 | CRORGGSWAKIXSA-UHFFFAOYSA-N | CRORGGSWAKIXSA-UHFFFAOYSA- | DR4JQR9E0V | AKOS025294818 | Isoamyl lactate | Propanoic acid, 2-hydroxy-, 3-methylbutyl ester | 3-methylbutyl 2-hydroxypropanoate | InChI=1/C8H16O3/c1-6(2)4-5-11-8
Specifications & Purity
≥98%(GC)
Shipped In
Normal
Taxonomic Classification
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
Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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
carboxylic ester
Data sources
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.
Names and Identifiers
Pubchem Sid
488186371
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186371
IUPAC Name
3-methylbutyl 2-hydroxypropanoate
INCHI
InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKey
CRORGGSWAKIXSA-UHFFFAOYSA-N
Smiles
CC(C)CCOC(=O)C(C)O
Isomeric SMILES
CC(C)CCOC(=O)C(C)O
Molecular Weight
160.21
Beilstein
3(3)483
Reaxy-Rn
1703537
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703537&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.42
Flash Point(°C)
74 °C
Boil Point(°C)
202°C
Molecular Weight
160.210 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
160.11 Da
Monoisotopic Mass
160.11 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
121.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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
1.
Min Li, Ping Zhan, Peng Wang, Honglei Tian, Jingzhang Geng, Lixia Wang.
(2023)
Characterization of aroma-active compounds changes of Xiecun Huangjius with different aging years based on odor activity values and multivariate analysis. FOOD CHEMISTRY,
405
(134809).
2.
Yuting Ye, Lixia Wang, Ping Zhan, Honglei Tian, Jianshu Liu.
(2022)
Characterization of the aroma compounds of Millet Huangjiu at different fermentation stages. FOOD CHEMISTRY,
366
(130691).
3.
Baoqing Bai, Lanqi Zhang, Ying Zhang, Bin Feng, Tao Bo, Jinhua Zhang, Sanhong Fan, Yukun Yang.
(2025)
Comparative analysis of flavor characteristics of two rounds of Qingxiangxing Baijiu by GC×GC-TOFMS, HS-GC-IMS, GC-E-nose and E-tongue. Food Bioscience,
63
(105789).
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3 Citations
F2506082