Triethyl 2-acetylcitrate - ≥97% , CAS No.77-89-4

CAS: 77-89-4 Cat. No.: T111799 Molecular Weight: 318.32 Beilstein Registry Number: 1804947 EC Number: 201-066-5 PubChem CID: 6504
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
ATEC | Triethyl 2-acetylcitrate | Triethyl citrate, acetate | ACETYLTRIETHYL CITRATE [USP-RS] | CITRIC ACID, TRIETHYL ESTER, ACETATE | Citroflex A-2 | SCHEMBL42702 | UNII-5WBR36T90E | 3-03-00-01105 (Beilstein Handbook Reference) | CAS-77-89-4 | Citric aci
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25ml
T111799-25ml
3
$15.90
100ml
T111799-100ml
2
$25.90
500ml
T111799-500ml
2
$61.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
ATEC | Triethyl 2-acetylcitrate | Triethyl citrate, acetate | ACETYLTRIETHYL CITRATE [USP-RS] | CITRIC ACID, TRIETHYL ESTER, ACETATE | Citroflex A-2 | SCHEMBL42702 | UNII-5WBR36T90E | 3-03-00-01105 (Beilstein Handbook Reference) | CAS-77-89-4 | Citric aci
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
IUPAC Nametriethyl 2-acetyloxypropane-1,2,3-tricarboxylate
InChIKeyWEAPVABOECTMGR-UHFFFAOYSA-N
INCHI1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
Isomeric SMILES CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
WGK Germany 1
RTECS GE8225000
PubChem CID 6504
Molecular Weight 318.32
Beilstein 1804947

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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassTetracarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentTetracarboxylic acids and derivatives
Alternative Parents Fatty acid esters  Carboxylic acid esters  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Tetracarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

5 results found

Lot NumberCertificate TypeDateItem
G2307101Certificate of AnalysisMay 29, 2023 T111799
G2307103Certificate of AnalysisMay 29, 2023 T111799
G2308010Certificate of AnalysisMay 29, 2023 T111799
G2308011Certificate of AnalysisMay 29, 2023 T111799
K2519223Certificate of AnalysisMay 29, 2023 T111799
Chemical and Physical Properties
SensitivityHygroscopic
Refractive Index1.439
Flash Point(°F)235.4 °F
Flash Point(°C)>110℃
Boil Point(°C)228-229°C
Molecular Weight318.320 g/mol
XLogP30.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass318.131 Da
Monoisotopic Mass318.131 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count22
Formal Charge0
Complexity395.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Xiaofeng Li, Xiaobang Liu, Yaotai Jiang, Dongshun Deng.  (2016)  Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.6b00399]
2. Yuanji Gao, Yijun Liu, Xingyu Li, Kaineng Huang.  (2024)  Arc plasma for high-efficiency ionization and scavenging of plasticizers in wrap films.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38262215] [10.1016/j.chroma.2024.464663]
3. Axue Wang, Bingbing Lai, Xiaobo Wang, Huaigang Su, Wenjing Lou, Shengmao Zhang.  (2026)  Study on the rheological and tribological behavior of poly(3-hydroxybutyrate-co-4-hydroxybutyrate) environmentally friendly lubricating grease formulated with biobased ester oil.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2026.02.005]
Solution Calculators
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