Dodec-2-endisaeure

Traumatic Acid

HCID 5283028CAS 6402-36-4

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Grundinformationen

Standard-SMILES: O=C(O)/C=C/CCCCCCCCC(=O)O
InChIKey: MAZWDMBCPDUFDJ-VQHVLOKHSA-N
Summenformel: C12H20O4
Durchschnittliche Molmasse: 228,28 g/mol
Monoisotopische Masse: 228,13615912

Überblick

Traumatic acid is a monounsaturated straight-chain dicarboxylic acid with the double bond at C-2; a plant wound-healing hormone. It has a role as a plant hormone.

Namen und Bezeichner

Bevorzugter Name: Traumatic Acid
IUPAC: (E)-dodec-2-enedioic acid
Lokaler Name: Dodec-2-endisaeure
Englischer Name: TRAUMATIC ACID
Summenformel: C12H20O4
Molmasse: 228.28

Namen und Synonyme

Traumatic acid6402-36-4(E)-dodec-2-enedioic acidtrans-2-dodecenedioic acid2E-dodecenedioic acidDodec-2-enedioic acid(2E)-Dodecenedioic acidCHEBI:545687L7ND24937H2-dodecene-1,12-dicarboxylic acidNSC-8125FEMA NO. 4944

Weitere Namen anzeigen

raumaticaciTaumatic acidTraumatic Acid >(E)-traumatic acidDodec-2-endisaeure

DTXSID00863778RefChem:190693DTXCID30909390229-019-4trans-Traumatic acid(2E)-dodec-2-enedioic acid2-Dodecenedioic acid2-Dodecenedioic acid, (2E)-

Datenbank-Bezeichner

CAS: 6402-36-4
PubChem CID: 5283028
DTXSID: DTXSID00863778
ChEMBL: CHEMBL470062
ChEBI: CHEBI:545687
UNII: L7ND24937H
EC Number: 229-019-4
Nikkaji: J208.287J、J5.789D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 74,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 10
Schwere Atome: 16
Formalladung: 0
Komplexität: 233

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]

Melting Point165.5 °C

Physical DescriptionSolid

Collision Cross Section161.9 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physikochemische Eigenschaften

Schmelzpunkt: 165 · 165-167 °C(lit.)
Siedepunkt: 290.1 °C · 290.1°C (rough estimate)
Dichte: 1.0051 · 1.0051 (rough estimate)
Brechungsindex: 1.4627 · 1.4627 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Very Slightly, Heated), DMSO (Slightly)
Aggregatzustand: Solid
pka: 4.78 · 4.78±0.10(Predicted)
Farbe: White to Off-White
Merck: 14 · 14,9576
LogP: 2.686 · 2.686 (est)
CAS Datenbank: 6402 · 6402-36-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Dodecenedioic acid, (2E)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2917.19.7050
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Anwendungen · 1 Eintrag

VerwendenTraumatic Acid, is the product of a biosynthetic pathway from a physiological role of alpha-ketol fatty acids in plant lipid hydroperoxide lyase metabolism. This compound is also used in would healing as it stimulates cell division to form a protective callus around the wound site.