Butyl Gallate - ≥98% , CAS No.1083-41-6

CAS: 1083-41-6 Cat. No.: B152839 Molecular Weight: 226.23 EC Number: 214-107-7

5 Citations COA

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Butyl Gallate - ≥98% CAS No(1083-41-6) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid	504752527
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752527
Canonical Smiles	CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
IUPAC Name	butyl 3,4,5-trihydroxybenzoate
InChIKey	XOPOEBVTQYAOSV-UHFFFAOYSA-N
INCHI	1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3
Isomeric SMILES	CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
RTECS	LW7600000
Molecular Weight	226.23
Reaxy-Rn	3032709
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3032709&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Hydroxybenzoic acid derivatives
        Level6 Gallic acid and derivatives
        Level7 Galloyl esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives - Gallic acid and derivatives
Direct Parent	Galloyl esters
Alternative Parents	p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Galloyl ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCRF-CEM (65223 Activities)

Lot Number	Certificate Type	Date	Item
G2405155	Certificate of Analysis	Apr 26, 2024	B152839
G2405156	Certificate of Analysis	Apr 26, 2024	B152839
I2305128	Certificate of Analysis	Jul 26, 2023	B152839
I2305129	Certificate of Analysis	Jul 26, 2023	B152839
I2305130	Certificate of Analysis	Jul 26, 2023	B152839
I2305131	Certificate of Analysis	Jul 26, 2023	B152839
I2305132	Certificate of Analysis	Jul 26, 2023	B152839
I2305133	Certificate of Analysis	Jul 26, 2023	B152839
I2305134	Certificate of Analysis	Jul 26, 2023	B152839
I2305190	Certificate of Analysis	Jul 26, 2023	B152839

Melt Point(°C)	144 °C
Molecular Weight	226.230 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	226.084 Da
Monoisotopic Mass	226.084 Da
Topological Polar Surface Area	87.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	218.000
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

1. Man-Tong Zhao, Zhong-Yuan Liu, Guan-Hua Zhao, De-Yang Li, Guang-Hua Xia, Fa-Wen Yin, Da-Yong Zhou. (2022) Investigation of the antioxidation capacity of gallic acid and its alkyl esters with different chain lengths for dried oyster during ambient storage. INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY, 57 (4): (2435-2446). [PMID:] [10.1111/ijfs.15604]
2. Dong Cai, Xinmiao Wang, Qian Wang, Peiyong Tong, Weiyuan Niu, Xu Guo, Jinghan Yu, Xuan Chen, Xiaoyang Liu, Dayong Zhou, Fawen Yin. (2024) Controlled release characteristics of alkyl gallates and gallic acid from β-cyclodextrin inclusion complexes of alkyl gallates. FOOD CHEMISTRY, [PMID:39111044] [10.1016/j.foodchem.2024.140726]
3. Qian Wang, Xinmiao Wang, Dong Cai, Jinghan Yu, Xuan Chen, Weiyuan Niu, Siya Wang, Xiaoyang Liu, Dayong Zhou, Fawen Yin. (2024) Hydrolysis and Transport Characteristics of Phospholipid Complex of Alkyl Gallates: Potential Sustained Release of Alkyl Gallate and Gallic Acid. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:38226868] [10.1021/acs.jafc.3c05731]
4. Xuan Chen, Xinmiao Wang, Qian Wang, Dong Cai, Jinghan Yu, Beiwei Zhu, Dayong Zhou, Fawen Yin. (2025) In vitro hydrolysis of V-type starch inclusion complexes of alkyl gallates: the controlled two-step release behavior of gallic acid and its beneficial effect on glycemic control. Food & Function, [PMID:39907005] [10.1039/D4FO05743K]
5. Da-zhong Ding, Ying Fan, Yan Zhang, Meng-meng Niu, Xing-tong Zhou, Zhong-hua Sun, Yang Li, Ping Gao, Lin Pei, Zhao Yang. (2026) Cocrystal engineering confers photoresistance, tabletability, and anaerobic bactericidal synergy to metronidazole via NIR monitoring. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2026.145452]