9-Octadecenedioic acid

HCID 25202007CAS 4494-16-0

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Grundinformationen

Standard-SMILES: O=C(O)CCCCCCCC=CCCCCCCCC(=O)O
InChIKey: SBLKVIQSIHEQOF-UHFFFAOYSA-N
Summenformel: C18H32O4
Durchschnittliche Molmasse: 312,4 g/mol
Monoisotopische Masse: 312,2300595

Namen und Bezeichner

Bevorzugter Name: 9-Octadecenedioic acid
IUPAC: octadec-9-enedioic acid
Englischer Name: 8-Hexadecene-1,16-dicarboxylic acid
Summenformel: C18H32O4
Molmasse: 312.44

Namen und Synonyme

4494-16-09-Octadecenedioic acidRefChem:313226Octadec-9-enedioic acidOctadecane-9-enedioic acidHomocivetic acidSCHEMBL3816749-1,18-octadecenedioic acid1,18-octadec-9-enedioic acidWZG0174SBLKVIQSIHEQOF-UHFFFAOYSA-NOctadecane-9-ene-1,18-dioic acid

Weitere Namen anzeigen

(Z)-octadec-9-enedioic acidtrans-9-OctadecendisureOctadec-9-ene-1,18-dioic acid8-Hexadecene-1,16-dicarboxylic aci

AKOS028110033Hexadec-8-ene-1,16-dicarboxylic acidF868111

Datenbank-Bezeichner

CAS: 4494-16-0
PubChem CID: 25202007
EC Number: 802-122-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,5
Polarare Oberfläche (TPSA): 74,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 16
Schwere Atome: 22
Formalladung: 0
Komplexität: 280

Physikochemische Eigenschaften

Schmelzpunkt: 102.5 · 102.5-103.5℃ (ethyl acetate )
Siedepunkt: 426.4 · 426.4±20.0 °C(Predicted)
Dichte: 1.012 · 1.012±0.06 g/cm3(Predicted)
Dampfdruck: 0 · 0-0.36Pa at 20℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Solid
pka: 4.48 · 4.48±0.10(Predicted)
LogP: 2.4 · 2.4-5.91 at 23℃ and pH2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.