Grundinformationen
- Standard-SMILES
C=CCCCCCCCCC(=O)OC- InChIKey
KISVAASFGZJBCY-UHFFFAOYSA-N- Summenformel
- C12H22O2
- Durchschnittliche Molmasse
- 198,3 g/mol
- Monoisotopische Masse
- 198,16197994
Überblick
Methyl undecenate is a fatty acid methyl ester of 10-undecenoic acid. It has a role as a metabolite. It is functionally related to a 10-undecenoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl 10-undecenoate
- IUPAC
- methyl undec-10-enoate
- Lokaler Name
- Methylundec-10-enoat
- Englischer Name
- Methyl 10-undecenoate
- Summenformel
- C12H22O2
- Molmasse
- 198.3
Namen und Synonyme
Methyl undec-10-enoate111-81-9METHYL 10-UNDECENOATEMethyl undecylenateMethyl undecenateMethyl undecenoate10-Undecenoic acid, methyl ester10-Undecenoic acid methyl estermethyl 10-undecylenateDTXSID5046566UNII-RWN4DY6S6TRWN4DY6S6T
Weitere Namen anzeigen
NSC 1273methylundec-10Methyl 10-undecenEleven Methyl-eneMETHYL10-UNDECNOATEMETHYL 10-UNDECENATE
NSC-1273Methyl undec-10-enylateEINECS 203-910-810-HENDECENOIC ACID METHYL ESTERMASKOD MNS 01-10AI3-00647DTXCID3026566FEMA NO. 4253
Datenbank-Bezeichner
- CAS
111-81-9- PubChem CID
- 8138
- DTXSID
DTXSID5046566- ChEMBL
CHEMBL1591973- ChEBI
CHEBI:87493- UNII
- RWN4DY6S6T
- EC Number
- 203-910-8
- Nikkaji
- J45.865A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 152
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Methyl undec-10-enoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.885-0.891 (20 °C)
Solubility
slightly
Slightly soluble in water
Soluble (in ethanol)
Boiling Point
245.00 to 248.00 °C. @ 760.00 mm Hg
243-247 °C
Melting Point27.5 °C
Refractive Index1.436-1.442
Physical Description
Solid
Colourless liquid; Oily aroma
Physikochemische Eigenschaften
- Schmelzpunkt
- 26 · 26-27℃
- Siedepunkt
- 245 °C · 245 °C (lit.)
- Dichte
- 0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
- Dampfdruck
- 2.1 hPa · 2.1hPa at 25℃
- FEMA
- 4253 · 4253 | METHYL 10-UNDECENOATE
- Brechungsindex
- 20 · n20/D 1.437(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 2 O: · H2O: insoluble
- Aggregatzustand
- clear liquid
- Wichte
- 0.882 · 0.882
- Farbe
- Colorless to Light yellow
- Geruch (Odor)
- 100 % · at 100.00 %. fatty waxy citrus earthy fungal rose floral
- Geruchsart
- fatty
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- 794 μg/L · 794μg/L at 20℃
- JECFA Number
- 1639 · 1639
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMINGDEODORANT
- InChI
- 1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
- InChIKey
- KISVAASFGZJBCY-UHFFFAOYSA-N
- SMILES
- COC(=O)CCCCCCCCC=C
- LogP
- 5.3 at · 5.3 at 20℃
- CAS Datenbank
- 111 · 111-81-9(CAS DataBase Reference)
- EPA chemische Informationen
- 10 · 10-Undecenoic acid, methyl ester (111-81-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1496 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 10-Undecenoic acid, methyl ester
Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10072
Methyl-10-undecenoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 10-Undecenoic acid, methyl ester: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9 / PGIII
- hs_code
- 29161900
- risk_code
- 36/37/38-20/22
- hazard_code
- Xn,N
- safety_code
- 26-36/37/39-61-60-24/25
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information10-Undecenoic acid, methyl ester: ACTIVE
Anwendungen
VerwendenMethyl 10-undecenoate, unsaturated fatty acid ester, is used to modify commercial silicone monomer, 1,3,5,7-tetramethylcyclotetrasiloxane for the preparation of silicone hollow nano/microstructures in water.
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Ergänzende Hinweise
DefinitionChEBI: A fatty acid methyl ester of 10-undecenoic acid.
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