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77-89-4

77-89-4 structure
77-89-4 structure
Name Triethyl O-Acetylcitrate
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
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

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)
Hazard Codes Xi
Safety Phrases S23-S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS GE8225000
HS Code 2918990090
77-93-0 structure

77-93-0

108-24-7 structure

108-24-7

~92%

77-89-4 structure

77-89-4

Literature: Liu, Zhihui; Ma, Qiaoqiao; Liu, Yuxiu; Wang, Qingmin Organic Letters, 2014 , vol. 16, # 1 p. 236 - 239
77-93-0 structure

77-93-0

75-36-5 structure

75-36-5

~%

77-89-4 structure

77-89-4

Literature: Justus Liebigs Annalen der Chemie, , vol. 129, p. 187
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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