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2-Octenylsuccinic anhydride

HCID 534543
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
42482-06-4
Standard-SMILES
CCCCCC=CCC1CC(=O)OC1=O
InChIKey
WSGFXVFLWVXTCJ-UHFFFAOYSA-N
Summenformel
C12H18O3
Durchschnittliche Molmasse
210,27 g/mol
Monoisotopische Masse
210,12559443

Namen und Bezeichner

Bevorzugter Name
2-Octenylsuccinic anhydride
IUPAC
3-oct-2-enyloxolane-2,5-dione
Englischer Name
2-Octen-1-ylsuccinic anhydride, mixture of cis and trans
Summenformel
C12H18O3
Molmasse
210.27

Namen und Synonyme

2-Octen-1-ylsuccinic anhydrideDTXSID8041373DTXCID6021373667AA732U9RefChem:4773112,5-Furandione, dihydro-3-(2-octen-1-yl)-2,5-Furandione, dihydro-3-(2-octenyl)-2-Octenylsuccinic anhydride42482-06-43-oct-2-enyloxolane-2,5-dioneOSAoct-2-enylsuccinic anhydride
Weitere Namen anzeigen
2-Octenylsuccinic Anhydride Dihydro-3-(2-Octen-1-Yl)-2,5-Furandione3-(Oct-2-en-1-yl)dihydrofuran-2,5-dione3-[(2E)-oct-2-en-1-yl]dihydrofuran-2,5-dione2-Octen-1-ylsuccinic anhydride, mixture of cis2-OctenylsuccinicAnhydride(cis-andtrans-mixture)>2-Octenylsuccinic Anhydride (cis- and trans- mixture)2-Octenylsuccinic anhydride,mixture of cis- and trans-2-octen-1-ylsuccinic anhydride, mixture of cis and trans
SCHEMBL33490orb3177771CHEMBL31880193-oct-2-enyldihydrofuran-2,5-dione3-oct-2-enyltetrahydrofuran-2,5-dione3-(OCT-2-EN-1-YL)OXOLANE-2,5-DIONE2-Octen-1-ylsuccinicanhydride,mixtureofcisandtrans2-octen-1-ylsuccinic anhydride, mixture of cis and trans;2-Octenylsuccinic Anhydride (cis- and trans- mixture);2-Octenylsuccinic Anhydride 2,5-Furandione, dihydro-3-(2-octen-1-yl)-;2-Octen-1-ylsuccinic anhydride, Mixture of cis and trans 97%

Datenbank-Bezeichner

CAS
42482-06-4
PubChem CID
534543
DTXSID
DTXSID8041373
ChEMBL
CHEMBL3188019
EC Number
629-679-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
15
Formalladung
0
Komplexität
256

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt
8 · 8-12°C (lit.)
Dichte
1 g/mL · 1 g/mL at 25 °C(lit.)
Dampfdruck
43.5 Pa · 43.5Pa at 20℃
Brechungsindex
20 · n20/D1.4694(lit.)
Flammpunkt
113 ℃ · 113℃
Aggregatzustand
Viscous
Farbe
Colorless to Almost colorless
Siedepunkt
168 °C/10 · 168°C/10 mmHg(lit.)
InChI
InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3
InChIKey
WSGFXVFLWVXTCJ-UHFFFAOYSA-N
SMILES
O1C(=O)CC(CC=CCCCCC)C1=O
LogP
4.68 at · 4.68 at 22℃ and pH7

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 · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

2,5-Furandione, dihydro-3-(2-octen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Furandione, dihydro-3-(2-octen-1-yl)- 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: 01-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5481

Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

2,5-Furandione, dihydro-3-(2-octen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Furandione, dihydro-3-(2-octen-1-yl)- 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)

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 5,000,000 - <10,000,000 lb;2022: 1,000,000 - <5,000,000 lb;2021: 1,000,000 - <5,000,000 lb;2020: 1,000,000 - <5,000,000 lb
Industry UsesSizing agent;Corrosion inhibitor;Intermediate
General Manufacturing Information · 2 Einträge

Other (requires additional information);Paper Manufacturing;Fabricated Metal Product Manufacturing

2,5-Furandione, dihydro-3-(2-octen-1-yl)-: ACTIVE

Anwendungen · 2 Einträge

Verwenden2-Octen-1-ylsuccinic anhydride, mixture of cis and trans can be used in food hydrocolloids.

Verwenden2-Octen-1-ylsuccinic anhydride, mixture of cis and trans can be used as a structural unit in organic synthesis for the manufacture of polyesters, polyurethanes and other polymers. In addition, it is used in the synthesis of surfactants, emulsifiers and other surfactant systems.

Anbieter100 Anbieter

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Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 459761
HRID 459761als Eduktuspto-grants-2007_03
Reaktionsgleichung von HRID 2160594
HRID 2160594als EduktTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

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Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
EPA chemische Informationen
2 · 2,5-Furandione, dihydro-3-(2-octenyl)- (42482-06-4)

Status: Active Update: 01-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5481

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29171900
risk_code
36/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
10 - Combustible liquids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2
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