1-Propene-1,2,3-tricarboxylic acid

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Names

[ CAS No. ]:
499-12-7

[ Name ]:
1-Propene-1,2,3-tricarboxylic acid

[Synonym ]:
(E)-and (Z)-propene-1,2,3-tricarboxylic acid
1-Propene-1,2,3-tricarboxylic acid
Brenzcitronsaeure
Propen-1,2,3-tricarbonsaeure
3-carboxyglutaconic acid
TRAN-1,2,3-PROPENE TRICARBOXYLIC ACID
Achilleasaeure
Aconic acid
3-carboxy-2-pentenedioic acid
1 propene 1,2,3 tricarboxylic acid
propene-1,2,3-tricarboxylic acid
(1,2,3-Propenetricarboxylic acid)
citridinic acid
achilleaic acid

Chemical & Physical Properties

[ Density]:
1.66g/cm3

[ Boiling Point ]:
542.6ºC at 760 mmHg

[ Melting Point ]:
194-195ºC (WITH DECOMP)

[ Molecular Formula ]:
C6H6O6

[ Molecular Weight ]:
174.10800

[ Flash Point ]:
296ºC

[ Exact Mass ]:
174.01600

[ PSA ]:
111.90000

[ Vapour Pressure ]:
3.29E-13mmHg at 25°C

[ Index of Refraction ]:
1.57

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD2380000
CHEMICAL NAME :
1-Propene-1,2,3-tricarboxylic acid
CAS REGISTRY NUMBER :
499-12-7
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H6-O6
MOLECULAR WEIGHT :
174.12
WISWESSER LINE NOTATION :
QV1YVQU1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00189

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Citric Acid
  • acetyl triethyl citrate
  • 2-Butynedioic acid
  • sodium 1,3-diethoxy-1,3-dioxopropan-2-ide
  • diethylbut-2-indioat
  • (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
  • Sulfuric acid
  • Hydrochloric acid
  • Citrazinic acid
  • Water

DownStream

  • Citraconic acid
  • Mesaconic acid
  • 2,6-dioxo-3H-pyran-4-carboxylic acid
  • Trimethyl trans-Aconitate
  • Itaconic acid
  • Tricarballylic acid
  • Succinic acid
  • Citraconic anhydride
  • Trimethyl 1,2,3-Propanetricarboxylate

Related Compounds

  • (E)-1-Propene-1,2,3-tricarboxylic Acid
  • cis-1-propene-1,2,3-tricarboxylic acid
  • 1-Propene-1,2,3-tricarboxylic acid tributyl ester
  • 1-Propene-1,2,3-tricarboxylic acid triethyl ester
  • 1-propene-1,2,3-tricarboxylic acid, trihexyl ester
  • 1-Propene-1,2,3-tricarboxylic acid,tripentyl ester
  • (E)-4-(Dimethylamino)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]but-2-enamide
  • (2E)-N-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-(dimethylamino)-N-methylbut-2-enamide
  • (2E)-N-(1-benzyl-2-oxopiperidin-3-yl)-4-(dimethylamino)but-2-enamide
  • (E)-N-[2-[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(dimethylamino)but-2-enamide
  • (E)-N-[1-Benzyl-3-(hydroxymethyl)piperidin-4-yl]-4-(dimethylamino)but-2-enamide
  • (E)-4-(Dimethylamino)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylbut-2-enamide
  • (E)-4-(Dimethylamino)-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]but-2-enamide
  • (E)-4-(Dimethylamino)-N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]but-2-enamide
  • (E)-4-(Dimethylamino)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]but-2-enamide
  • (2E)-N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-4-(dimethylamino)but-2-enamide
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