Cas no 77-90-7 (Tributyl O-Acetylcitrate)
Tributyl O-Acetylcitrate Chemical and Physical Properties
Names and Identifiers
-
- Tributyl 2-acetoxypropane-1,2,3-tricarboxylate
- ATBC
- Tributyl Acetyl Citrate
- butyl acetylcitrate
- O-Acetylcitric acid tributyl ester
- Acetyl Tributylcitrate
- Acetyl Tributyl Citrate (ATBC)
- Tributyl 2-acetylcitrate
- Citroflex A-4
- tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
- Tributyl O-Acetylcit
- Tributyl O-Acetylcitrate
- Tributyl acetylcitrate
- Citroflex A
- Blo-trol
- Citroflex A 4
- Tributyl citrate acetate
- Acetyltributyl citrate
- 2-Acetyltributylcitrate
- Acetylcitric acid, tributyl ester
- Tributyl acetylicitrate
- Citric acid, tributyl ester, acetate
- 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
- Caswell No. 005AB
- Acetyl tributyl citrate
- HSDB 656
- AKOS015895884
- acetyltributylcitrate
- FEMA 3080
- A0822
- CHEMBL1904556
- Q4673294
- DTXSID2026446
- SCHEMBL23183
- Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid
- Acetyltributyl citrate [NF]
- DTXCID006446
- CHEBI:168067
- Tox21_112777
- SR-01000883988-1
- 0ZBX0N59RZ
- UNII-0ZBX0N59RZ
- NSC3894
- CS-W011697
- Uniplex 84
- Tributyl O-acetylcitrate, 98%
- Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
- NSC 3894
- C20H34O8
- D70155
- BS-18149
- tributyl-o-acetyl citrate
- NSC-3894
- Tributyl 2-(acetyloxy)-1,2, 3-propanetricarboxylic acid
- Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
- Citric acid, acetyl tributyl ester
- ACETYLTRIBUTYL CITRATE [II]
- Tributyl 2-acetoxy-1,2, 3-propanetricarboxylate
- 2-Acetoxy-1,2, 3-propanetricarboxylic acid tributyl ester
- Tox21_303128
- Acetyl tri-n-butyl citrate
- CAS-77-90-7
- Pfizer citroflex A-4
- Acetyl tributyl citrate Solution in Hexane, 1000mug/mL
- Citric acid, tributyl ester, acetate (8CI)
- 77-90-7
- ACETYLTRIBUTYL CITRATE [HSDB]
- 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tributyl ester
- Acetyl butyl citrate
- Estaflex
- Tributyl 2-acetoxy-1,3-propanetricarboxylate
- NCGC00257221-01
- 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, tributyl ester
- 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester
- 2-(Acetyloxy)-1,2,3-propane tricarboxylic acid, tributyl ester
- 2-Acetoxy-1,3-propanetricarboxylic acid tributyl ester
- CCRIS 3409
- NCGC00259328-01
- 1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
- CITRIC ACID, O-ACETYLTRIBUTYL ESTER
- NCI60_003698
- MFCD00043554
- EC 201-067-0
- Acetyltributyl citrate, United States Pharmacopeia (USP) Reference Standard
- BRN 2303316
- ACETYLTRIBUTYL CITRATE [USP-RS]
- Estaflex ATC
- Tributyl 2-acetylcitrate, Pharmaceutical Secondary Standard; Certified Reference Material
- 1,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
- HY-W010981
- TRIBUTYL ACETYLCITRATE [FHFI]
- Tox21_201779
- TRIBUTYL ACETYLCITRATE [EP MONOGRAPH]
- SR-01000883988
- A839285
- Tributyl acetylcitrate, European Pharmacopoeia (EP) Reference Standard
- Tributyl 2-acetylcitrate, >=98%, FG
- FEMA No. 3080
- 1ST001927
- TRIBUTYL ACETYLCITRATE [MART.]
- 2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
- NCGC00164157-02
- Tributyl 2-(acetyloxy)-1,3-propanetricarboxylic acid
- AI3-01999
- NS00010307
- 1ST001927-1000
- DA-78604
- EINECS 201-067-0
- NCGC00164157-01
-
- MDL： MFCD00043554
- Inchi： 1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
- InChI Key： QZCLKYGREBVARF-UHFFFAOYSA-N
- SMILES： O(C(C([H])([H])[H])=O)C(C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Computed Properties
- Exact Mass: 402.22500
- Monoisotopic Mass: 402.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 19
- Complexity: 476
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.3
- Topological Polar Surface Area: 105
Experimental Properties
- Color/Form: Colorless odorless oily liquid.
- Density: 1.05?g/mL?at 25?°C(lit.)
- Melting Point: -80°C(lit.)
- Boiling Point: 327 oC
- Flash Point: Fahrenheit: 422.6 ° f
Celsius: 217 ° c - Refractive Index: n20/D 1.443(lit.)
- Water Partition Coefficient: <0.1 g/100 mL
- PSA: 105.20000
- LogP: 3.09840
- Vapor Pressure: 0.26 psi ( 20 °C)
0.8 psi ( 55 °C) - FEMA: 3080 | TRIBUTYL ACETYLCITRATE
- Freezing Point: -80℃
- Solubility: Insoluble in water. Soluble in most organic solvents. It is compatible with a variety of cellulose, vinyl resins and chlorinated rubber. Partially compatible with cellulose acetate
Tributyl O-Acetylcitrate Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Safety Instruction： S24/25
- RTECS：TZ8330000
- Safety Term：S24/25
- Storage Condition：Store below +30°C.
Tributyl O-Acetylcitrate Customs Data
- HS CODE：2918150000
- Customs Data：
China Customs Code:
2918150000Overview:
2918150000. Citrate and citrate. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:4ABxy(Export license,Customs clearance form for Inbound Goods,Customs clearance form for outbound goods export license(processing trade),Export license(Small border trade)). MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
4.Export license
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goods
x.Export license(processing trade)
y.Export license(Small border trade)Inspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
N.Export commodity inspectionSummary:
2918150000. other salts and esters of citric acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:4ABXY(export license,certificate of inspection for goods inward,certificate of inspection for goods outwardexport license(processing trade),export license(border small volume trade)). MFN tariff:6.5%. General tariff:30.0%
Tributyl O-Acetylcitrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 388378-500ML |
Tributyl O-Acetylcitrate |
77-90-7 | 500ml |
￥592.52 | 2023-12-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T819551-2.5L |
Tributyl 2-acetylcitrate |
77-90-7 | 97% | 2.5L |
985.00 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W308005-SAMPLE |
Tributyl O-Acetylcitrate |
77-90-7 | ≥98%, FG | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W308005-1KG |
Tributyl O-Acetylcitrate |
77-90-7 | 1kg |
￥1084.91 | 2023-11-12 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | W308005-5KG |
Tributyl O-Acetylcitrate |
77-90-7 | 5kg |
￥2178.83 | 2023-11-12 | ||
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0837529735- 100ml |
Tributyl O-Acetylcitrate |
77-90-7 | 95% | 100ml |
￥ 56.5 | 2021-05-18 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | PHR1156-1G |
Tributyl O-Acetylcitrate |
77-90-7 | 1g |
￥962.77 | 2025-01-10 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 1009901-200MG |
Tributyl O-Acetylcitrate |
77-90-7 | United States Pharmacopeia (USP) Reference Standard | 200MG |
5337.72 | 2021-05-13 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 1009901 |
Tributyl O-Acetylcitrate |
77-90-7 | United States Pharmacopeia (USP) Reference Standard | ￥5719.62 | 2022-02-21 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 1009901-500MG |
Tributyl O-Acetylcitrate |
77-90-7 | United States Pharmacopeia (USP) Reference Standard | 500MG |
￥6179.47 | 2022-02-21 |
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Tributyl O-Acetylcitrate Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
Additional information on Tributyl O-Acetylcitrate
Introduction to Tributyl O-Acetylcitrate (CAS No. 77-90-7)
Tributyl O-Acetylcitrate, with the chemical formula C??H??O? and a CAS number of 77-90-7, is a widely utilized compound in the field of organic synthesis and industrial applications. This ester derivative of citric acid is valued for its unique chemical properties, which make it an excellent solvent and intermediate in various chemical processes. The compound's structure, featuring a citric acid backbone modified with butyl groups and an acetyl group, contributes to its versatility and reactivity.
The primary use of Tributyl O-Acetylcitrate lies in the production of polymers, particularly in the creation of biodegradable plastics. Its ability to act as a plasticizer enhances the flexibility and durability of polyvinyl chloride (PVC) and other polymer matrices. This application aligns with the growing global emphasis on sustainable materials, as Tributyl O-Acetylcitrate offers a more environmentally friendly alternative to traditional petroleum-based plasticizers.
In recent years, researchers have also explored the potential of Tributyl O-Acetylcitrate in pharmaceutical formulations. Its mild acidic nature and solvency make it an attractive candidate for drug delivery systems. Studies have shown that it can improve the bioavailability of certain active pharmaceutical ingredients (APIs) by enhancing their solubility in water. This property is particularly significant in the development of oral and topical medications where solubility is a critical factor in efficacy.
Moreover, Tributyl O-Acetylcitrate has found applications in the cosmetics industry. Its non-toxic and hypoallergenic properties make it a preferred choice for formulating skincare and haircare products. The compound's ability to stabilize emulsions and act as a carrier for active ingredients has led to its incorporation into anti-aging creams, moisturizers, and hair treatments. The demand for natural and organic cosmetic ingredients has further boosted the usage of Tributyl O-Acetylcitrate in this sector.
The synthesis of Tributyl O-Acetylcitrate typically involves the esterification of citric acid with butanol in the presence of an acetylating agent. This reaction is catalyzed by strong acids such as sulfuric acid or by enzymes like lipases. The choice of catalyst can influence the yield and purity of the final product, making process optimization a crucial aspect of industrial production. Recent advancements in enzymatic catalysis have improved the efficiency and environmental sustainability of this synthetic route.
From an industrial perspective, Tributyl O-Acetylcitrate is valued for its low volatility and high boiling point, which make it suitable for use in high-temperature processes without significant loss through evaporation. This characteristic is particularly beneficial in applications such as coatings and adhesives, where prolonged exposure to heat is necessary. Additionally, its compatibility with a wide range of other chemicals enhances its utility as an intermediate in complex synthetic pathways.
The safety profile of Tributyl O-Acetylcitrate is another critical consideration. While it does not pose significant health risks under normal handling conditions, proper ventilation and protective equipment are recommended to minimize any potential exposure. Its stability under various environmental conditions also makes it a reliable choice for long-term storage and transportation. These factors contribute to its widespread acceptance across multiple industries.
Recent research has also highlighted the potential role of Tributyl O-Acetylcitrate in green chemistry initiatives. Its biodegradability and non-toxicity align with the principles of sustainable chemistry, making it an ideal candidate for eco-friendly formulations. Efforts are ongoing to expand its applications in areas such as agriculture, where it could serve as a safer alternative to conventional pesticides or herbicides.
In conclusion, Tributyl O-Acetylcitrate (CAS No. 77-90-7) is a multifunctional compound with diverse industrial applications. Its unique chemical properties make it indispensable in polymer production, pharmaceutical formulations, and cosmetic manufacturing. As research continues to uncover new uses for this versatile ester derivative, its importance in advancing sustainable technologies is set to grow even further.
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