Grundinformationen
- CAS
489-84-9- Standard-SMILES
Cc1ccc(C(C)C)cc2c(C)ccc1-2- InChIKey
FWKQNCXZGNBPFD-UHFFFAOYSA-N- Summenformel
- C15H18
- Durchschnittliche Molmasse
- 198,3 g/mol
- Monoisotopische Masse
- 198,14085057
Überblick
Guaiazulene is a sesquiterpene. It derives from a hydride of a guaiane.
Namen und Bezeichner
- Bevorzugter Name
- Guaiazulene
- IUPAC
- 1,4-dimethyl-7-propan-2-ylazulene
- Lokaler Name
- 7-Isopropyl-1,4-dimethylazulen
- Englischer Name
- Guaiazulene
- Summenformel
- C15H18
- Molmasse
- 198.3
Namen und Synonyme
guaiazulene489-84-91,4-Dimethyl-7-isopropylazulene7-Isopropyl-1,4-dimethylazuleneVetivazulenAzulonS-GuaiazuleneKessazulenPurazulenSilazulonUroazulenAzunol
Weitere Namen anzeigen
AzulolGuaiazulenumGuiazuleneAZ-8uaiazuLCuteazul
guaiazulenGuajazuleneVaumigan1,4-dimethyl-7-propan-2-ylazulene1,4-Dimethyl-7-(1-methylethyl)azuleneAzulene, 1,4-dimethyl-7-(1-methylethyl)-3,8-Dimethyl-5-(2-propyl)azulene1,4-dimethyl-7-(propan-2-yl)azulene
Datenbank-Bezeichner
- CAS
489-84-9- PubChem CID
- 3515
- DTXSID
DTXSID7045996- ChEMBL
CHEMBL1408759- ChEBI
CHEBI:5550- UNII
- 2OZ1K9JKQC
- EC Number
- 207-701-2
- Nikkaji
- J11.635A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 206
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
CosmeticsAntimicrobial
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (7-Isopropyl-1,4-dimethylazulene) -> IFRA transparency List
Food AdditivesCosmetics -> FDA Regulatory Status of Color Additives
Solubility0.000664 mg/mL at 25 °C
Boiling Point152.00 to 154.00 °C. @ 7.00 mm Hg
Melting Point31.5 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 235 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Azulene, 1,4-dimethyl-7-(1-methylethyl)-
Guaiazulene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2902190000
- RTECS-Nr.
- CO4790000
- risk_code
- 22-20/21/22
- hazard_code
- Xn
- safety_code
- 36/37/39-26-22-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
ATC Code
S - Sensory organs
QS - Sensory organs
Cellular LocationsExtracellular
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Guaiazulene in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Antimicrobial
General Manufacturing InformationAzulene, 1,4-dimethyl-7-(1-methylethyl)-: ACTIVE
Anwendungen
VerwendenGuaiazulene can be used as a starting material for the synthesis of:Azulene-based dye molecules such as 3-(7-isopropyl-1,4-dimethylazulen-3-yl)-2-cyanoacrylic acid and 5-(7-isopropyl-1,4-dimethylazulen-3-yl)-2-cyanopenta-2,4-dienoic acid.Stilbazulenyl nitrone, a second-generation azulenyl nitrone which can be used as a chain-breaking antioxidant.Bis-azulenyl based near-infrared fluorescence quencher.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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