Grundinformationen
- Standard-SMILES
C=CCCCCCCCCC(=O)O- InChIKey
FRPZMMHWLSIFAZ-UHFFFAOYSA-N- Summenformel
- C11H20O2
- Durchschnittliche Molmasse
- 184,27 g/mol
- Monoisotopische Masse
- 184,14632988
Namen und Bezeichner
- Bevorzugter Name
- Undecylenic Acid
- IUPAC
- undec-10-enoic acid
- Englischer Name
- Undecenoic acid
- Summenformel
- C11H20O2
- Molmasse
- 184.28
Namen und Synonyme
undecylenic acid10-UNDECENOIC ACIDUndec-10-enoic acid112-38-910-Hendecenoic acidRenselinDeclidSevinon10-Undecylenic acidundecylenateFEMA No. 3247Kyselina undecylenova
Weitere Namen anzeigen
FEMA 3247undecylenic9-Undecenoic acidundecyl-10-enicacidUndecenoic
UNDECEN-10-ACID-1omega-undecenoic acidomega-hendecenoic acidDTXSID8035001NSC-2013K3D86KJ24NCHEBI:35045NSC2013
Datenbank-Bezeichner
- CAS
112-38-9、1333-28-4、96451-28-4- PubChem CID
- 5634
- DTXSID
DTXSID8035001- ChEMBL
CHEMBL1276010- ChEBI
CHEBI:35045- UNII
- K3D86KJ24N
- EC Number
- 203-965-8、215-583-9、619-214-6
- Nikkaji
- J5.125J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 141
Physikochemische Eigenschaften
- Schmelzpunkt
- 23 · 23-25 °C (lit.)
- Siedepunkt
- 137 °C/2 · 137 °C/2 mmHg (lit.)
- Dichte
- 0.912 g/mL · 0.912 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.019 Pa · 0.019Pa at 20℃
- FEMA
- 3247 · 3247 | 10-UNDECENOIC ACID
- Brechungsindex
- 20 · n20/D 1.449(lit.)
- Flammpunkt
- 300 °F · 300 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- water: insoluble
- pka
- 4.78 · 4.78±0.10(Predicted)
- Aggregatzustand
- Crystalline Low Melting Solid or Liquid
- Wichte
- 0.911 · 0.911 (25/25℃)
- Farbe
- Pale yellow
- Geruch (Odor)
- sweet woody
- Geruchsart
- woody
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- INSOLUBLE
- Merck
- 14 · 14,9848
- JECFA Number
- 331 · 331
- BRN
- 1762631 · 1762631
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- PRESERVATIVESURFACTANT - EMULSIFYINGSURFACTANT - CLEANSINGFRAGRANCEANTIMICROBIAL
- InChI
- 1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
- InChIKey
- FRPZMMHWLSIFAZ-UHFFFAOYSA-N
- SMILES
- OC(=O)CCCCCCCCC=C
- LogP
- 4 at · 4 at 20℃
- CAS Datenbank
- 112 · 112-38-9(CAS DataBase Reference)
- NIST chemische Informationen
- Undecylenic Acid(112-38-9)
- EPA chemische Informationen
- 10 · 10-Undecenoic acid (112-38-9)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29161910
- RTECS-Nr.
- YQ2975000
- risk_code
- 36/37/38-52/53-36/38
- Toxizität
- LD50 in mice (g/kg): 8.15 orally; 0.960 i.p. (Newell)
- hazard_code
- Xi
- safety_code
- 26-61-37/39-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
- Selbstentzündungstemperatur
- 275 °C
Chemie und Industrie
Anwendungen
BeschreibungUndecylenic acid (C11) or also called 10-undecenoic acid is an organic unsaturated fatty acid derived from castor oil by cracking. Undecylenic acid is an FDA approved active ingredient in medications for skin infections, and relieves itching, burning, and irritation. In technical applications it is used because if its antifungal properties.appearance (25°C) White or very pale yellow crystalline mass or clear colourless pale yellow liquid acid value mg KOH/g 295 - 304 saponification mg KOH/g 295 - 304 iodine value) gI2/100g 132 - 136 congealing point °C 23 - 24 Purity by GC % min. 99%
OccurrenceReported found as a metabolite in Rhodotorula glutinis var. lusitanica; naturally occurring in the essential oils of Juniperus chinensis, Thujopsis dolabrata and skim milk powder
Verwenden10-Undecenoic Acid, is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.
Darstellung
synthetischeFrom malonic acid; by pyrolysis of ricinoleic acid or castor oil.
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Ergänzende Hinweise
DefinitionChEBI: An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems.
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