Grundinformationen
- Standard-SMILES
C=CCCCCCCCCC=O- InChIKey
OFHHDSQXFXLTKC-UHFFFAOYSA-N- Summenformel
- C11H20O
- Durchschnittliche Molmasse
- 168,28 g/mol
- Monoisotopische Masse
- 168,15141526
Überblick
10-undecenal is an undecenal in which the C=C bond is at the 10-11 position.
Namen und Bezeichner
- Bevorzugter Name
- 10-Undecenal
- IUPAC
- undec-10-enal
- Englischer Name
- 10-Undecenal
- Summenformel
- C11H20O
- Molmasse
- 168.28
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
112-45-8- PubChem CID
- 8187
- DTXSID
DTXSID3037757- ChEMBL
CHEMBL3185269- ChEBI
CHEBI:125536- UNII
- DU1OTA08RY
- EC Number
- 203-973-1
- Nikkaji
- J61.751B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 108
Experimentelle und physikochemische Eigenschaften
Solubility
30 mg/L @ 20 °C (exp)
soluble in propylene glycol and most fixed oils; insoluble in glycerol and water
(in ethanol)
Boiling Point
98.00 to 100.00 °C. @ 3.00 mm Hg
235 °C
Physical Description
Liquid
Liquid
colourless to light yellow liquid with a fatty, rose-like odour on dilution
Physikochemische Eigenschaften
- Schmelzpunkt
- 7 °C · 7°C
- Siedepunkt
- 98 · 98-100 °C3 mm Hg(lit.)
- Dichte
- 0.84 g/mL · 0.84 g/mL at 25 °C(lit.)
- Dampfdichte
- 1 · >1 (vs air)
- Dampfdruck
- 8.7 Pa · 8.7Pa at 25℃
- FEMA
- 3095 · 3095 | 10-UNDECENAL
- Brechungsindex
- 20 · n20/D 1.4427(lit.)
- Flammpunkt
- 199 °F · 199 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- pka
- 0 · 0[at 20 ℃]
- Aggregatzustand
- Crystals or Crystalline Powder
- Farbe
- White
- Wichte
- 0.84 · 0.84
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. waxy aldehydic rose mandarin citrus soapy fatty
- Geruchsart
- aldehydic
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- Insoluble
- JECFA Number
- 330 · 330
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCEPERFUMING
- InChI
- 1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
- InChIKey
- OFHHDSQXFXLTKC-UHFFFAOYSA-N
- SMILES
- [H]C(=O)CCCCCCCCC=C
- LogP
- 4.672 at · 4.672 at 25℃
- CAS Datenbank
- 112 · 112-45-8(CAS DataBase Reference)
- NIST chemische Informationen
- 10 · 10-Undecenal(112-45-8)
- EPA chemische Informationen
- 10 · 10-Undecenal (112-45-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1818 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H227: Combustible liquid [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: 10-Undecenal
Regulation (EC) No 1831/2003 (amended)
10-Undecenal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 10-Undecenal 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: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12737
10-Undecenal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (97.2%)
Flammable liquids - Category 4
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- NA1993
- hs_code
- 29121900
- RTECS-Nr.
- YQ2835000
- risk_code
- 38-10
- Toxizität
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973.
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- hazard_class
- CBL
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1B
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
10-Undecenal: ACTIVE
Anwendungen
OccurrenceReported found in coriander leaf (Coriandrum sativum L.).
Verwenden10-Undecylenic Aldehyde is derived from the reduction of Undecylenic Acid (U788820) which is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.
Darstellung
synthetischeBy oxidation of the corresponding alcohol or reduction of the corresponding acid; by passing vapors of formic acid and undecylenic acid over TiO2 at 250°C under pressure; by passing vapors of undecylenic acid and methanol over a manganese dioxidebased catalyst; or by reduction of ethyl undecylenate with lithium hydride and sodium in tetrahydrofuran solution at very low temperature (–50°C).
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