(E)-Aconitic Acid

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Names

[ Name ]:
(E)-Aconitic Acid

[Synonym ]:
trans-1,2,3-Propenetricarboxylic acid
traps-Aconitlc acid
1-Propene-1,2,3-tricarboxylic acid, (1E)-
1-Propene-1-trans-2,3-tricarboxylic acid
trans Aconitic acid
trans-aconitic acid
equisetic acid
trans-Aconitate
ACONITIC ACID,TRANS
Aconitic acid
(E)-1-Propene-1,2,3-tricarboxylic Acid
(1E)-prop-1-ene-1,2,3-tricarboxylic acid
Aconitic acid, trans-
prop-1-ene-1,2,3-tricarboxylic acid
PROPENE-1,2,3-TRICARBOXYLIC ACID
(1E)-1-Propene-1,2,3-tricarboxylic acid
ACHILLEIC ACID
citridic acid
(E)-propene-1,2,3-tricarboxylic acid
trans-propene-1,2,3-tricarboxylic acid
MFCD00002721
EINECS 223-688-6
trans-1-Propene-1,2,3-tricarboxylic Acid

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
542.6±50.0 °C at 760 mmHg

[ Melting Point ]:
190 °C (dec.)(lit.)

[ Molecular Formula ]:
C₆H₆O₆

[ Molecular Weight ]:
174.108

[ Flash Point ]:
296.0±26.6 °C

[ Exact Mass ]:
174.016434

[ PSA ]:
111.90000

[ LogP ]:
0.63

[ Vapour Pressure ]:
0.0±3.1 mmHg at 25°C

[ Index of Refraction ]:
1.571

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UD2380000

[ HS Code ]:
2917190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

γ-bromo-aconitic acid triethyl ester
Sodium citrate
Citric Acid
cis-Aconitic acid
chloro-ethenetricarboxylic acid triethyl ester
sodium 1,3-diethoxy-1,3-dioxopropan-2-ide
Ethanol
Water

DownStream

Trimethyl trans-Aconitate
2-(2,5-dioxooxolan-3-ylidene)acetic acid
Pyruvic acid
fumaric acid
ethene
Itaconic acid
Tricarballylic acid
cis-Aconitic acid
1,2,3-tris(2-ethylhexyl) (E)-prop-1-ene-1,2,3-tricarboxylate

Customs

[ HS Code ]: 2917190090

[ Summary ]:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

HMDB: a knowledgebase for the human metabolome.

Nucleic Acids Res. 37(Database issue) , D603-10, (2009)

The Human Metabolome Database (HMDB, http://www.hmdb.ca) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, ...

Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach.

J. Nutr. 142(1) , 14-21, (2012)

Urine and plasma metabolites originate from endogenous metabolic pathways in different organs and exogenous sources (diet). Urine and plasma were obtained from advanced cancer patients and investigate...

SPE-NMR metabolite sub-profiling of urine.

Anal. Bioanal. Chem 404(8) , 2349-61, (2012)

NMR-based metabolite profiling of urine is a fast and reproducible method for detection of numerous metabolites with diverse chemical properties. However, signal overlap in the (1)H NMR profiles of hu...

trans-aconitic acid α-methyl ester
1-Propene-1,2,3-tricarboxylic acid
triethyl aconitate
(2,5-Dioxotetrahydro-3-furanyl)acetic acid
(E)-cinnamic acid 2,2,6,6-tetramethyl-piperidin-1-yl ester
(E)-acetic acid 6-hydroxy-3-methylhex-2-enyl ester