Methyl linoleate
Grundinformationen
- CAS
112-63-0- Standard-SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC- InChIKey
WTTJVINHCBCLGX-NQLNTKRDSA-N- Summenformel
- C19H34O2
- Durchschnittliche Molmasse
- 294,5 g/mol
- Monoisotopische Masse
- 294,25588033
Überblick
Methyl linoleate is a fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis. It has a role as a plant metabolite. It is functionally related to a linoleic acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl linoleate
- IUPAC
- methyl (9Z,12Z)-octadeca-9,12-dienoate
- Englischer Name
- METHYL LINOLEATE
- Summenformel
- C19H34O2
- Molmasse
- 294.47
Namen und Synonyme
METHYL LINOLEATE112-63-0Linoleic acid methyl estermethyl (9Z,12Z)-octadeca-9,12-dienoateLinoleic acid, methyl esterMethyl octadecadienoateMethyl 9-cis,12-cis-octadecadienoateLinoleic acid,methyl ester9,12-Octadecadienoic acid (Z,Z)-, methyl ester9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester24N6726DE5RADIA 7062
Weitere Namen anzeigen
cis-9,cis-12-octadecadienoic acid methyl estermethyl linolate9,12-Octadecadienoicacid(Z,Z)-,methylesterFEMA 3411methyllinolate(Z,Z)-9,12-octadecadienoic acid methyl esterMethyl(Z,Z)-9,12-octadecadienateMethyl (Z,Z)-9,12-octadecadienoate
CHEBI:69080NSC-93981FEMA NO. 3411, METHYL LINOLEATE-RefChem:157925203-993-0Methyl lineoleateMethyl linoleate, native(9Z,12Z)-Methyl octadeca-9,12-dienoate
Datenbank-Bezeichner
- CAS
112-63-0- PubChem CID
- 5284421
- DTXSID
DTXSID7020843- ChEMBL
CHEMBL3183866- ChEBI
CHEBI:69080- UNII
- 24N6726DE5
- EC Number
- 203-993-0
- Nikkaji
- J1.998D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 279
Experimentelle und physikochemische Eigenschaften
CosmeticsEmollient; Skin conditioning
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Methyl linoleate) -> IFRA transparency List
LogP
6.82
6.82
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point373.00 to 374.00 °C. @ 760.00 mm Hg
Melting Point-35 °C
Physical DescriptionLiquid
Collision Cross Section
183.18 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
186 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- -35 °C · -35 °C (lit.)
- Siedepunkt
- 192 °C/4 · 192 °C/4 mmHg (lit.)
- Dichte
- 0.889 g/mL · 0.889 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.462(lit.)
- FEMA
- 3411 · 3411 | METHYL LINOLEATE (48%) METHYL LINOLENATE (52%) MIXTURE
- Flammpunkt
- 200 °C · 200°C
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Soluble in DMF, fat solvents, oils.
- Aggregatzustand
- Liquid
- Farbe
- Colourless
- Wichte
- 0.88 · 0.88
- Geruch (Odor)
- 100 % · at 100.00 %. oily fatty woody
- Geruchsart
- oily
- Merck
- 14 · 14,6095
- JECFA Number
- 346 · 346
- BRN
- 1727614 · 1727614
- Henry's Law Constant
- 6.2 · 6.2×10-2 mol/(m3Pa) at 25℃, Krop and Velzen (1997)
- Dielectric constant
- 3.2 · 3.2000000000000002
- Stabilität
- Light Sensitive
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING - EMOLLIENTPERFUMINGSKIN CONDITIONING
- InChI
- 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
- InChIKey
- WTTJVINHCBCLGX-NQLNTKRDSA-N
- SMILES
- CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC
- LogP
- 7.64 · 7.64
- CAS Datenbank
- 112 · 112-63-0(CAS DataBase Reference)
- EPA chemische Informationen
- Methyl linoleate (112-63-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for > 99.9% (1563 of 1564) of all reports.
Not Classified
Aggregated GHS information provided per 1564 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 9,12-Octadecadienoic acid, (Z,Z)-, methyl ester
Methyl linoleate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 9,12-Octadecadienoic acid, (Z,Z)-, methyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Sicherheitsdaten
- F
- 10-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1206 3/PG 2
- hs_code
- 29161500
- risk_code
- 11-38-50/53-65-67
- hazard_code
- F,Xn,N
- safety_code
- 23-24/25-62-61-60-33-29-16-9
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Cosmetics -> Emollient; Skin conditioning
General Manufacturing Information9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester: ACTIVE
Anwendungen
OccurrenceReported found in banana, grape, grapefruit juice, melon, strawberries, mushroom and cassava.
VerwendenMethyl Linoleate is a common methyl ester produced from soybean or canola oil and methanol. Methyl Linoleate is classified as a biodiesel due to its long methyl ester chain and is used as a fuel in st andard diesel engines.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis.
Zugehörige Reaktionen
9
Notizen zur Verbindung
Wird geladen…