Tributyl citrate acetate

Modify Date: 2025-08-20 17:43:45

Tributyl citrate acetate Structure
Tributyl citrate acetate structure
Common Name Tributyl citrate acetate
CAS Number 77-90-7 Molecular Weight 402.479
Density 1.1±0.1 g/cm3 Boiling Point 418.1±40.0 °C at 760 mmHg
Molecular Formula C20H34O8 Melting Point -59 °C
MSDS Chinese USA Flash Point 175.1±27.4 °C

 Use of Tributyl citrate acetate


Acetyl tributyl citrate (Tributyl O-acetylcitrate; ATBC) is an alternative plasticizer[1].

 Names

Name Tributyl 2-acetylcitrate
Synonym More Synonyms

 Tributyl citrate acetate Biological Activity

Description Acetyl tributyl citrate (Tributyl O-acetylcitrate; ATBC) is an alternative plasticizer[1].
Related Catalog
References

[1]. Andreia Alves, et al. Case Study on Screening Emerging Pollutants in Urine and Nails. Environ Sci Technol. 2017 Apr 4;51(7):4046-4053.  

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 418.1±40.0 °C at 760 mmHg
Melting Point -59 °C
Molecular Formula C20H34O8
Molecular Weight 402.479
Flash Point 175.1±27.4 °C
Exact Mass 402.225372
PSA 105.20000
LogP 6.92
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.458
InChIKey QZCLKYGREBVARF-UHFFFAOYSA-N
SMILES CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC
Water Solubility <0.1 g/100 mL
Freezing Point -80℃

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ8330000
CHEMICAL NAME :
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
CAS REGISTRY NUMBER :
77-90-7
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H34-O8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 53,774,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12600 mg/kg/14D-I
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 53,774,1964 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3919 No. of Facilities: 88 (estimated) No. of Industries: 4 No. of Occupations: 4 No. of Employees: 1152 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3919 No. of Facilities: 459 (estimated) No. of Industries: 3 No. of Occupations: 17 No. of Employees: 106672 (estimated) No. of Female Employees: 98182 (estimated)

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes Xi
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS TZ8330000
HS Code 2918150000

 Synthetic Route

~79%

Tributyl citrate acetate Structure

Tributyl citrat...

CAS#:77-90-7

Literature: He, Lin; Guo, Hao; Ma, Xiao-Wei; Zhang, Jie; Gu, Cheng-Zhi; Wang, Wei; Dai, Bin Chinese Chemical Letters, 2014 , vol. 25, # 2 p. 215 - 217

~95%

Tributyl citrate acetate Structure

Tributyl citrat...

CAS#:77-90-7

Literature: Sakakura, Akira; Kawajiri, Kimio; Ohkubo, Takuro; Kosugi, Yuji; Ishihara, Kazuaki Journal of the American Chemical Society, 2007 , vol. 129, # 47 p. 14775 - 14779

~30%

Tributyl citrate acetate Structure

Tributyl citrat...

CAS#:77-90-7

Literature: Sakakura, Akira; Kawajiri, Kimio; Ohkubo, Takuro; Kosugi, Yuji; Ishihara, Kazuaki Journal of the American Chemical Society, 2007 , vol. 129, # 47 p. 14775 - 14779

 Customs

HS Code 2918150000
Summary 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%

 Articles29

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Intestinal pregnane X receptor links xenobiotic exposure and hypercholesterolemia.

Mol. Endocrinol. 29 , 765-76, (2015)

Recent studies have associated endocrine-disrupting chemical (EDC) exposure with the increased risk of cardiovascular disease in humans, but the underlying mechanisms responsible for these association...

Mechanistic analysis of PLGA/HPMC-based in-situ forming implants for periodontitis treatment.

Eur. J. Pharm. Biopharm. 94 , 273-83, (2015)

In-situ forming implant formulations based on poly(lactic-co-glycolic acid) (PLGA), acetyltributyl citrate (ATBC), minocycline HCl, N-methyl pyrrolidone (NMP) and optionally hydroxypropyl methylcellul...

Effect of PMMA polymer on the dynamic viscoelasticity and plasticizer leachability of PEMA-based tissue conditioners.

Dent. Mater. J. 29(4) , 374-80, (2010)

The purpose of this study was to determine the effect of PMMA polymer on dynamic viscoelasticity and plasticizer leachability of PEMA-based tissue conditioners. One PEMA polymer and one PMMA polymer w...

 Tributyl citrate acetateBioassay

View more

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
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 Synonyms

Tributyl O-Acetylcitrate
MFCD00043554
EINECS 201-067-0
Citroflex A
tributyl acetylcitrate
1,2,3-Propanetricarboxylic acid, 2- (acetyloxy)-, tributyl ester
UNII-0ZBX0N59RZ
4OV1XVO4&OV1&1OV4
Acetyl tri-n-butyl citrate
ATBC
Tributyl 2-acetoxypropane-1,2,3-tricarboxylate
ACETYL TRIBUTYL CITRATE
Tributyl citrate acetate
Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
Estaflex ATC
Citric acid, tributyl ester, acetate (8CI)
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
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