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CAS 77-94-1 | Tributyl citrate

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Common Name	Tributyl citrate
CAS Number	77-94-1	Molecular Weight	360.45
Density	1.1±0.1 g/cm3	Boiling Point	389.8±9.0 °C at 760 mmHg
Molecular Formula	C₁₈H₃₂O₇	Melting Point	≥300 °C(lit.)
MSDS	ChineseUSA	Flash Point	120.7±12.2 °C

Names

Name	Tributyl citrate
Synonym	More Synonyms

Tributyl citrate BiologicalActivity

Description	Tributyl 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 Catalog	Research 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.

Description

Tributyl 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 Catalog

Research 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

Density	1.1±0.1 g/cm3
Boiling Point	389.8±9.0 °C at 760 mmHg
Melting Point	≥300 °C(lit.)
Molecular Formula	C₁₈H₃₂O₇
Molecular Weight	360.45
Flash Point	120.7±12.2 °C
Exact Mass	360.214813
PSA	99.13000
LogP	4.68
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.465
InChIKey	ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
SMILES	CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
Water Solubility	insoluble

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 Equipment	Eyeshields;Gloves
Hazard Codes	T: Toxic;
Risk Phrases	R25
Safety Phrases	S26-S36/37/39-S45-S24/25
RIDADR	UN 2811 6.1/PG 2
WGK Germany	3
RTECS	TZ8608000
HS Code	2918150000

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%

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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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