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CAS 77-89-4 | acetyl triethyl citrate

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Common Name	acetyl triethyl citrate
CAS Number	77-89-4	Molecular Weight	318.320
Density	1.2±0.1 g/cm3	Boiling Point	327.2±37.0 °C at 760 mmHg
Molecular Formula	C₁₄H₂₂O₈	Melting Point	-42°C
MSDS	ChineseUSA	Flash Point	136.9±26.5 °C

Names

Name	Triethyl O-Acetylcitrate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	327.2±37.0 °C at 760 mmHg
Melting Point	-42°C
Molecular Formula	C₁₄H₂₂O₈
Molecular Weight	318.320
Flash Point	136.9±26.5 °C
Exact Mass	318.131470
PSA	105.20000
LogP	3.73
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.453
InChIKey	WEAPVABOECTMGR-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GE8225000

CHEMICAL NAME :: Citric acid, triethyl ester, acetate

CAS REGISTRY NUMBER :: 77-89-4

BEILSTEIN REFERENCE NO. :: 1804947

LAST UPDATED :: 199701

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C14-H22-O8

MOLECULAR WEIGHT :: 318.36

WISWESSER LINE NOTATION :: 2OV1XVO2&OV1&1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IPSTB3 International Polymer Science and Technology. (Rapra Technology Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year: 3,93,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1150 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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 8510 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,283,1959 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3220 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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 31780 mg/kg/8W-C

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Behavioral - ataxia

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,283,1959 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3176 No. of Facilities: 213 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1251 (estimated)

Safety Information

Hazard Codes	Xi
Safety Phrases	S23-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	1
RTECS	GE8225000
HS Code	2918990090

Customs

HS Code	2918990090
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Synonyms

2-(Acetyloxy)-1,2,3-propanetricarboxylic Acid Triethyl Ester

Citric Acid Acetyl Triethyl Ester

acetyl triethyl citrate

EINECS 201-066-5

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester

Triethyl 2-acetoxypropane-1,2,3-tricarboxylate

Citroflex A2

Tricarballylic Acid b-Acetoxytributyl Ester

triethyl 2-(acetyloxy)propane-1,2,3-tricarboxylate

Triethyl 2-acetoxy-1,2,3-propanetricarboxylate

MFCD00049378

O-Acetylcitric Acid Triethyl Ester

triethyl 2-acetyloxypropane-1,2,3-tricarboxylate

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