(Z)-9-Octadecenenitrile

HCID 6420241
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Grundinformationen

CAS
112-91-4
Standard-SMILES
CCCCCCCC/C=C\CCCCCCCC#N
InChIKey
UIAMCVSNZQYIQS-KTKRTIGZSA-N
Summenformel
C18H33N
Durchschnittliche Molmasse
263,5 g/mol
Monoisotopische Masse
263,26130006

Überblick

Oleonitrile is a fatty nitrile obtained by formal condensation of oleic acid with ammonia. It has a role as a plant metabolite. It is a fatty nitrile and an olefinic compound. It is functionally related to an oleic acid.

Namen und Bezeichner

Bevorzugter Name
(Z)-9-Octadecenenitrile
IUPAC
(Z)-octadec-9-enenitrile
Englischer Name
oleonitrile
Summenformel
C18H33N
Molmasse
263.46

Namen und Synonyme

Oleonitrile(Z)-octadec-9-enenitrile112-91-4OleoylnitrileOleylonitrileOleic acid nitrileOleic nitrile9-Octadecenenitrile, (9Z)-Oleyl nitrile(Z)-9-OCTADECENENITRILE9-Octadecenenitrile, (Z)-Olsaeurenitril
Weitere Namen anzeigen
9-Octadecenenitrile (1 mg/mL in Acetonitrile)
(9Z)-octadec-9-enenitrileOlsaeurenitril [German]HSDB 5580EINECS 204-016-0BRN 11020819-Octadecenoic acid (cis), nitrile (cis)cis-9-octadecenenitrile59F4912BUE

Datenbank-Bezeichner

CAS
112-91-4
PubChem CID
6420241
DTXSID
DTXSID3026934
ChEBI
CHEBI:133637
UNII
59F4912BUE
EC Number
204-016-0
Nikkaji
J193.607G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,1
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
14
Schwere Atome
19

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesOptical coefficient
Density0.848 @ 17 °C/17 °C
SolubilityINSOLUBLE IN WATER; SOLUBLE IN ALCOHOL
Melting Point-1 °C
Refractive IndexINDEX OF REFRACTION: 1.4566 @ 20 °C/D

Physikochemische Eigenschaften

Schmelzpunkt
-1 °C · -1°C
Siedepunkt
401.7 °C · 401.7°C (estimate)
Dichte
0.847 · 0.8470
Dampfdruck
1.8 Pa · 1.8Pa at 20℃
Brechungsindex
1.4566 · 1.4566
Löslichkeit
Chloroform (Slightly), Ethyl Acetate (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

9-Octadecenenitrile, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenenitrile, (9Z)- 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: 25-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14514

9-Octadecenenitrile, (9Z)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummarySee NITRILES.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Toxikologische Informationen

Adverse EffectsOther Poison - Chemical Asphyxiant

Sicherheitsdaten

tsca
TSCA listed
Toxizität
LD50 orl-rat: >10 g/kg ZAARAM 19,225,1969
Giftige Stoffe Daten
112-91-4(Hazardous Substances Data)

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

Used as a plasticizer for nitrile-butadiene rubbers and intermediate for amines and derivatives; [HSDB]

PLASTICIZER OR SOFTENER FOR NITRILE-BUTADIENE RUBBERS

CHEM INT FOR AMINES AND DERIVATIVES

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Production · 3 Einträge

2023: 1,000,000 - <8,500,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1980) PROBABLY GREATER THAN 4.54X10+6 GRAMS

Industry UsesCBI
Methods of ManufacturingREACTION OF OLEIC ACID WITH AMMONIA IN LIQUID OR VAPOR PHASE IN THE PRESENCE OF A DEHYDRATION CATALYST, EG, ALUMINA

Anwendungen

Verwenden9-Octadecenenitrile is used in the production of biofuel and biochar by thermal pyrolysis of linseed seed. It is also used as a fatty nitrile solvent for agricultural formulations.

Anbieter15 Anbieter

艾吉析科技（上海）有限公司17717235263 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
池州凯隆进出口贸易有限公司[email protected]

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