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Merck
CN

W308005

Tributyl 2-acetylcitrate

greener alternative

≥98%, FG

Synonym(s):

Acetyl tributyl citrate

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About This Item

Linear Formula:
CH3CO2C[CO2(CH2)3CH3][CH2CO2(CH2)3CH3]2
CAS Number:
77-90-7
Molecular Weight:
402.48
Flavis number:
9.511
PubChem Substance ID:
24901200
UNSPSC Code:
12164502
FEMA Number:
3080
NACRES:
NA.21
EC Number:
201-067-0
MDL number:
MFCD00043554
Beilstein/REAXYS Number:
2303316
Organoleptic:
herbaceous; sweet; wine-like
Grade:
FG, Fragrance grade
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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InChI key

QZCLKYGREBVARF-UHFFFAOYSA-N

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

SMILES string

CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC

biological source

synthetic

grade

FG, Fragrance grade

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 872/2012, FDA 21 CFR 172.515

vapor pressure

0.26 psi ( 20 °C), 0.8 psi ( 55 °C)

assay

≥98%

Quality Level

300, 400

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.443 (lit.)

density

1.05 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned

organoleptic

herbaceous; sweet; wine-like

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Green Chemistry. This product is environmentally-benign and can replace highly toxic phthalates in membrane preparation and thus aligns with "Less Hazardous Chemical Syntheses". Click here for more information.

Application


  • Effect of Starch Plasticization on Morphological, Mechanical, Crystalline, Thermal, and Optical Behavior of Poly(butylene adipate-co-terephthalate)/Thermoplastic Starch Composite Films.: This study investigates the influence of starch plasticization on various properties of poly(butylene adipate-co-terephthalate) composite films. Tributyl 2-acetylcitrate is evaluated as a plasticizer to enhance the material characteristics, with findings indicating improved mechanical and thermal performance (He et al., 2024, doi:10.3390/polym16030326).

  • Toxicological assessment of phthalates and their alternatives using human keratinocytes.: This research examines the toxicological effects of various phthalates and alternative plasticizers, including Tributyl 2-acetylcitrate, on human keratinocytes. The study provides insights into the safety and potential health impacts of these compounds (Kim et al., 2019, doi:10.1016/j.envres.2019.05.007).

  • Developmental toxicity of dibutyl phthalate and citrate ester plasticizers in Xenopus laevis embryos.: This study explores the developmental toxicity of dibutyl phthalate and citrate ester plasticizers, including Tributyl 2-acetylcitrate, in amphibian embryos. The research highlights potential developmental risks associated with these compounds (Xu et al., 2018, doi:10.1016/j.chemosphere.2018.04.077).

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

422.6 °F - closed cup

flash_point_c

217 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ8467
SHBM1777
SHBL6496
MKCK0635
MKCJ4576

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Jiugao Yu et al.
Biomacromolecules, 9(3), 1050-1057 (2008-02-23)
By using acetyl tributyl citrate (ATBC) as the plasticizer of poly(lactic acid) (PLA) and carbon black (CB) as conductive filler, electrically conductive polymer composites (CPC) with different CB and ATBC contents were prepared. FTIR revealed that the interaction existed between
Wilbur Johnson
International journal of toxicology, 21 Suppl 2, 1-17 (2002-10-25)
Acetyl Triethyl Citrate, Acetyl Tributyl Citrate, Acetyl Trihexyl Citrate, and Acetyl Trioctyl Citrate all function as plasticizers in cosmetics. Additionally, the Trihexyl and Trioctyl forms are described as skin-conditioning agents-emollients, although there are currently no reported uses of Acetyl Trihexyl
Panagiota D Zygoura et al.
Journal of chromatography. A, 1093(1-2), 29-35 (2005-10-20)
The determination of commercial plasticizers (di-(2-ethylhexyl)adipate (DEHA) and acetyl tributyl citrate (ATBC)) in aqueous solutions is described. The newly proposed technique of applying microwaves to cloud point extracts in order to enable combination with gas chromatographic analysis has been used
Katrin Nickles et al.
Journal of clinical periodontology, 36(11), 976-983 (2009-10-08)
Evaluation of the 10-year results after open flap debridement (OFD) and guided tissue regeneration (GTR) therapy of infrabony defects in a randomized controlled clinical trial. In 16 periodontitis patients OFD or polylactide acetyltributyl citrate barriers (GTR; n=23) were assigned randomly
W J Lin et al.
Journal of controlled release : official journal of the Controlled Release Society, 99(3), 415-421 (2004-09-29)
The aim of present work was to investigate the influence of plasticizer on the release of theophylline from microporous-controlled tablets. Three plasticizers, acetyltributyl citrate (ATBC), castor oil, and triacetin, were included in this study. These plasticizers reduced the crystallinity of
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