Azulen

AZULEN · AZULENE · Azunamic · Azulene,99% · AZULENE(RG) · Azulene >AZULENE, FOR GC · Soluble azulene · 275-51-4 AZULENE

Identifikatoren & physikalische Daten

CAS No.	275-51-4
Summenformel	C10H8
Durchschnittliche Molmasse	128,17 g/mol
Monoisotopische Masse	128,06260026 g/mol
SMILES	c1ccc2cccc-2cc1
InChIKey	CUFNKYGDVFVPHO-UHFFFAOYSA-N
PubChem CID	9231
ChEMBL	CHEMBL3272628
ChEBI	CHEBI:31249
EC No.	205-993-6
DTXSID	DTXSID2059770
Lokaler Name	Azulen

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	94,6
Kosmetika	Cosmetic ingredients (Azulene) -> CIR (Cosmetic Ingredient Review)Soothing
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	3.22
Schmelzpunkt	98-100 °C(lit.)
Siedepunkt	242 °C(lit.)
Dichte	1.0530
Brechungsindex	1.5736 (estimate)
Flammpunkt	241-243°C
Lagerbedingungen	Store at +2°C to +8°C.
Löslichkeit	Soluble in organic solvents.
Aggregatzustand	Fine Crystalline Powder
Farbe	Dark blue
Merck	14,926
BRN	969517
Henry-Konstante	1.5×10-1 mol/(m3Pa) at 25℃, Hiatt (2013)
Stabilität	Stable. Combustible. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen	SOOTHINGSKIN CONDITIONING
InChI	1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
InChIKey	CUFNKYGDVFVPHO-UHFFFAOYSA-N
SMILES	c1ccc2cccc2cc1
LogP (Verteilungskoeffizient)	3.200
CAS Datenbank	275-51-4(CAS DataBase Reference)
EPA chemische Informationen	Azulene (275-51-4)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 9.1% (4 of 44) of reports.H411 (90.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: AzuleneAzulene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Aquatic Chronic 2 (90.9%)
Treatment	There is no know antidote for PAHs. Exposure is usually handled with symptomatic treatment. (L10)
Gesundheitliche Auswirkungen	PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system. (L10)
Expositionspfade	Oral (L10)inhalation (L10)
Toxizitätsübersicht	The CIR Expert Panel concludes that the available data are insufficient to support the safety of Azulene for use in cosmetic products.Ingredients for which the data are insufficient and their use in cosmetics is not supportedThe ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (L10, L23, A27, A32)
Signs and Symptoms	Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. (A10)
Carcinogen Classification	Not listed by IARC.
Toxicity Data	LD50: >4000 mg/kg (Oral, Rat) (L912) LD50: 180 mg/kg (Intraperitoneal, Rat) (L912) LD50: 520 mg/kg (Subcutaneous, Rat) (L912)
F	8
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 3077 9/PG 3
Zollcode	29029000
RTECS-Nr.	CO4570000
R-Sätze (R)	51/53
Toxizität	LD50 orl-rat: >4 g/kg DRUGAY 6,13,82
Gefahrensymbole	N
Sicherheitshinweise (S)	61
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Aquatic Chronic 2

Anwendungen & Verwendung

Verwenden

azulene is renowned as an anti-inflammatory, calming, and soothing agent. excellent for sensitive skin, azulene is a german chamomile derivative with a characteristic deep blue color. Careful, it stains!