Myrtenal
Grundinformationen
- CAS
23727-16-4- Standard-SMILES
CC1(C)C2CC=C(C=O)C1C2- InChIKey
KMRMUZKLFIEVAO-UHFFFAOYSA-N- Summenformel
- C10H14O
- Durchschnittliche Molmasse
- 150,22 g/mol
- Monoisotopische Masse
- 150,10446507
Überblick
(+)-myrtenal has been reported in Artemisia annua, Chamaecyparis formosensis, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Myrtenal
- IUPAC
- 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
- Englischer Name
- myrtenal,(+)-(1S)-6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
- Summenformel
- C10H14O
- Molmasse
- 150.22
Namen und Synonyme
Myrtenal564-94-3(1R)-(-)-Myrtenal6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehydeBicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-D-myrtenal(+)-Myrtenal(1S)-Myrtenal2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-BICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXALDEHYDE, 6,6-DIMETHYL-(1R)-(?)-Myrtenal
Weitere Namen anzeigen
[1S,5R,(+)]-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehydeBicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1S,5R)-myrtenal,(+)-(1S)-6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
(+/-)-MYRTENAL(1S,5R)-(+)-6,6-Dimethyl-2-norpinene-2-carboxaldehydeMyrtenal (Mixture of Enantiomers)(1S)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxaldehyde6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxaldehyde6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-ENE-2-CARBOXALDEHYDE6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxaldehyde; (+/-)-Myrtenal; 6,6-Dimethyl-2-norpinene-2-carboxaldehyde; Benihinal; Myrtenal; NSC 54384(1r)-(-) myrtenal
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient (2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene) -> IFRA transparency List
LogP2.98
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.984-0.990
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point220 °C
Refractive Index1.496-1.507
Physical DescriptionColourless liquid; refreshing, spicy-herbaceous odour
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-
Regulation (EC) No 1334/2008 (amended)
Bicyclo3.1.1hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-: Environment tier I assessment
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-: ACTIVE
Anbieter2 Anbieter
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
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