CAS 77-94-1|Tributyl citrate

Introduction:Basic information about CAS 77-94-1|Tributyl citrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameTributyl citrate
CAS Number77-94-1Molecular Weight360.45
Density1.1±0.1 g/cm3Boiling Point389.8±9.0 °C at 760 mmHg
Molecular FormulaC18H32O7Melting Point≥300 °C(lit.)
MSDSChineseUSAFlash Point120.7±12.2 °C

Names

NameTributyl citrate
SynonymMore Synonyms

Tributyl citrate BiologicalActivity

DescriptionTributyl citrate is a citric acid ester. Tributyl citrate can be used as an excipient, such as plasticizer. Pharmaceutical excipients, or pharmaceutical auxiliaries, refer to other chemical substances used in the pharmaceutical process other than pharmaceutical ingredients. Pharmaceutical excipients generally refer to inactive ingredients in pharmaceutical preparations, which can improve the stability, solubility and processability of pharmaceutical preparations. Pharmaceutical excipients also affect the absorption, distribution, metabolism, and elimination (ADME) processes of co-administered drugs[1][2].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. FINKELSTEIN M, et al. Toxicology of the citric acid esters: tributyl citrate, acetyl tributyl citrate, triethyl citrate, and acetyl triethyl citrate. Toxicol Appl Pharmacol. 1959 May;1(3):283-98.  

[2]. Elder DP, et al. Pharmaceutical excipients - quality, regulatory and biopharmaceutical considerations. Eur J Pharm Sci. 2016 May 25;87:88-99.  

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point389.8±9.0 °C at 760 mmHg
Melting Point≥300 °C(lit.)
Molecular FormulaC18H32O7
Molecular Weight360.45
Flash Point120.7±12.2 °C
Exact Mass360.214813
PSA99.13000
LogP4.68
Vapour Pressure0.0±2.0 mmHg at 25°C
Index of Refraction1.465
InChIKeyZFOZVQLOBQUTQQ-UHFFFAOYSA-N
SMILESCCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
Water Solubilityinsoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ8608000
CHEMICAL NAME :
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
CAS REGISTRY NUMBER :
77-94-1
BEILSTEIN REFERENCE NO. :
1806072
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C18-H32-O7

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 :
2900 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Vascular - other changes
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 :
8120 mg/kg/14D-I
TOXIC EFFECTS :
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

Safety Information

Personal Protective EquipmentEyeshields;Gloves
Hazard CodesT: Toxic;
Risk PhrasesR25
Safety PhrasesS26-S36/37/39-S45-S24/25
RIDADRUN 2811 6.1/PG 2
WGK Germany3
RTECSTZ8608000
HS Code2918150000

Customs

HS Code2918150000
Summary2918150000. 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%

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Synonyms

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
Tri-n-butyl citrate
Citric acid tri-n-butyl ester
EINECS 201-071-2
MFCD00027217
Citric acid, tributyl ester (8CI)
Tributyl citrate
tributyl 2-hydroxypropane-1,2,3-tricarboxylate
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