Korksure
Suberic acid
Grundinformationen
- CAS
505-48-6- Standard-SMILES
O=C(O)CCCCCCC(=O)O- InChIKey
TYFQFVWCELRYAO-UHFFFAOYSA-N- Summenformel
- C8H14O4
- Durchschnittliche Molmasse
- 174,19 g/mol
- Monoisotopische Masse
- 174,08920893
Überblick
Suberic acid is an alpha,-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane. It has a role as a human metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of a suberate and a suberate(2-).
Namen und Bezeichner
- Bevorzugter Name
- Suberic acid
- IUPAC
- octanedioic acid
- Lokaler Name
- Korksure
- Englischer Name
- Suberic acid
- Summenformel
- C8H14O4
- Molmasse
- 174.19
Namen und Synonyme
Octanedioic acidSUBERIC ACID505-48-61,6-Hexanedicarboxylic acidCork acid1,8-Octanedioic acidHexamethylenedicarboxylic acidDTXSID80216446U7Y4M9C1HNSC-25952CHEBI:9300DTXCID101644
Weitere Namen anzeigen
subericoctandioic acidKORK ACID142-144℃Suberic aciUndecanediol
hydron;octanedioateRefChem:932329208-010-9Octane-1,8-dioic acid1,6-DicarboxyhexaneOctanedioc acidMFCD00004428Korksaeure
Datenbank-Bezeichner
- CAS
505-48-6、68937-72-4- PubChem CID
- 10457
- DTXSID
DTXSID8021644- ChEMBL
CHEMBL1162491- ChEBI
CHEBI:9300- UNII
- 6U7Y4M9C1H
- EC Number
- 208-010-9
- Nikkaji
- J6.225A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 135
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Solubility11.9 mg/mL
Boiling Point345.50 °C. @ 760.00 mm Hg
Melting Point144 °C
Physical Description
Other Solid
Solid
Collision Cross Section
133.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
136 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 140 · 140-144 °C(lit.)
- Siedepunkt
- 230 °C15 · 230 °C15 mm Hg(lit.)
- Dichte
- 1.301 · 1.3010 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 22.85℃
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (7 of 291) of reports.
Warning
H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 291 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Octanedioic acid
Octanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanedioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27209
Octanedioic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesEye Irrit. 2A (97.6%)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29171990
- risk_code
- 36-36/37/38
- hazard_code
- Xi
- safety_code
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsProstate
Verwendung und Herstellung
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesLubricating agent
General Manufacturing Information
Paint and Coating Manufacturing
Octanedioic acid: ACTIVE
Anwendungen
BeschreibungIt was firstly produced by nitric acid oxidation of cork (Latin suber) material and then from castor oil. The oxidation of ricinoleic acid produces, by splitting at the level of the double bond and at the level of the OH group, at the same time, suberic acid (octanedioic acid) and the next homologue azelaic acid. Suberic acid was used in the manufacture of alkyd resins and in the synthesis of polyamides leading to nylon.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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