Propen-1,2,3-tricarbonsure

Aconitic Acid

HCID 309CAS 499-12-7

Grundinformationen

Standard-SMILES
O=C(O)C=C(CC(=O)O)C(=O)O
InChIKey
GTZCVFVGUGFEME-UHFFFAOYSA-N
Summenformel
C6H6O6
Durchschnittliche Molmasse
174,11 g/mol
Monoisotopische Masse
174,01643791

Namen und Bezeichner

Bevorzugter Name
Aconitic Acid
IUPAC
prop-1-ene-1,2,3-tricarboxylic acid
Lokaler Name
Propen-1,2,3-tricarbonsure
Englischer Name
Aconitic Acid
Summenformel
C6H6O6
Molmasse
174.11

Namen und Synonyme

ACONITIC ACIDAchilleic acid499-12-71-Propene-1,2,3-tricarboxylic acidCitridic acidEquisetic acid3-Carboxy-2-pentenedioic acidDTXSID9060102CHEBI:22211Propene-1,2,3-tricarboxylic acidFEMA No. 201093371T1BXP
Weitere Namen anzeigen
aconiticaci3-carboxyglutaconic acidAconitic Acid, 10 mM in DMSOTRAN-1,2,3-PROPENE TRICARBOXYLIC ACIDAconic acid(1,2,3-Propenetricarboxylic acid)
NSC-7616RefChem:388769DTXCID5040756207-877-02-Pentenedioic acid, 3-carboxy-Achilleaic acidCitridinic AcidGlutaconic acid, 3-carboxy-

Datenbank-Bezeichner

CAS
499-12-7
PubChem CID
309
DTXSID
DTXSID9060102
ChEMBL
CHEMBL153658
ChEBI
CHEBI:22211
EC Number
207-877-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1
Polarare Oberfläche (TPSA)
112 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
192 °C · 192°C (rough estimate)
Siedepunkt
225.05 °C · 225.05°C (rough estimate)
Dichte
1.4285 · 1.4285 (rough estimate)
Brechungsindex
1.586 · 1.5860 (estimate)
FEMA
2010 · 2010 | ACONITIC ACID
Löslichkeit
16 % · Soluble 16 % in water at 13 ℃, 33% in water at 25 ℃. Decomposes when heated to 200° C. Soluble in alcohol and most perfume and flavor materials, poorly soluble in hydrocarbons (Terpenes, etc.).

Sicherheit und Regulatorisches

Sicherheitsdaten

tsca
TSCA listed
Toxizität
LD50 intravenous in mouse: 180mg/kg
Giftige Stoffe Daten
499-12-7(Hazardous Substances Data)

Chemie und Industrie

Anwendungen · 2 Einträge

OccurrenceReported found in beet root, sugarcane, the leaves and tubers of Aconitum napellus, and other natural products (Pelargonium species).

VerwendenAconitic Acid is a flavoring substance which occurs in the leaves and tubers of aconitum napellus l. And other ranunculaceae. Transaconitic acid can be isolated during sugar cane processing, by precipitation as the calcium salt from cane sugar or molasses. It may be synthesized by sulfuric acid dehydration of citric acid but not by the methanesulfonic acid method. It is used in a maximum level, as served, of 0.003% for baked goods, 0.002% for alcoholic beverages, 0.0015% for frozen dairy products, 0.0035% for soft candy, and 0.0005% or less for all other food categories.

Darstellung · 1 Eintrag

synthetischeBy dehydration of citric acid with concentrated H2SO4: Aconitic acid prepared by this or other methods has the transconfiguration; the cis-isomer is little known. Trans-aconitic acid can be isolated during sugarcane processing by precipitation as the calcium salt from cane sugar or molasses.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter13 Anbieter

成都彼样生物科技有限公司18108052721 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3.

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