아줄렌

아줄렌 · AZULEN · AZULENE · Azunamic · Azulene,99% · AZULENE(RG) · Azulene >AZULENE, FOR GC · Soluble azulene

식별자 및 물리적 특성

CAS No.	275-51-4
분자식	C10H8
평균 분자량	128.17 g/mol
단동위원소 질량	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
현지명	아줄렌

화학 및 물리적 성질

XLogP	3.2
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	94.6
화장품	Cosmetic ingredients (Azulene) -> CIR (Cosmetic Ingredient Review)Soothing
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP(분배 계수)	3.22
녹는점	98-100 °C(lit.)
끓는 점	242 °C(lit.)
밀도	1.0530
굴절률	1.5736 (estimate)
인화점	241-243°C
저장 조건	Store at +2°C to +8°C.
용해도	유기 용매에 용해됩니다.
물리적 상태	미세 결정성 분말
색상	진한 파란색
Merck	14,926
BRN	969517
헨리 상수	1.5×10-1 mol/(m3Pa) at 25℃, Hiatt (2013)
안정성	안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	달래는피부 컨디셔닝
InChI	1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
InChIKey	CUFNKYGDVFVPHO-UHFFFAOYSA-N
SMILES	c1ccc2cccc2cc1
LogP(분배 계수)	3.200
EPA	Azulene (275-51-4)

화학적 성질

Azulene is a blue crystalline compound with the chemical formula C10H8 and a melting point of 99°C. It contains afive-membered ring fused to a seven-membered ring and has aromatic properties. When heated it is converted into naphthalene.

안전 및 규제

Toxicity Data
GHS 분류	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.
규제 정보	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)
건강 영향	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)
노출 경로	Oral (L10)inhalation (L10)
독성 요약	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.

용도

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!