아줄렌

Azulene

HCID 9231CAS 275-51-4

기본 정보

표준 SMILES
c1ccc2cccc-2cc1
InChIKey
CUFNKYGDVFVPHO-UHFFFAOYSA-N
분자식
C10H8
평균 분자량
128.17 g/mol
단동위원소 질량
128.06260026

개요

Azulene is a mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. It has a role as a volatile oil component and a plant metabolite. It is an ortho-fused bicyclic arene, a member of azulenes and a mancude carbobicyclic parent.

이름 및 식별자

우선 이름
Azulene
IUPAC
azulene
현지명
아줄렌
영어명
Azulene
분자식
C10H8
분자량
128.17

이름 및 동의어

azulene275-51-4CyclopentacyclohepteneAzunamicBicyclo[5.3.0]decapentaeneazulenBicyclo(5.3.0)decapentaeneBicyclo(5.3.0)-deca-2,4,6,8,10-pentaene82R6M9MGLPBicyclo(5.3.0)-1,3,5,7,9-decapentaeneDTXSID2059770NSC-89248
이름 더 보기
아줄렌Azulene,99%AZULENE(RG)Azulene >AZULENE, FOR GCSoluble azulene275-51-4 AZULENEAZULENE OEKANAL
CHEBI:31249RefChem:116159DTXCID7037686205-993-6EINECS 205-993-6MFCD00003810AZULENE [MI]Azulene (JAN)

데이터베이스 식별자

CAS
275-51-4
PubChem CID
9231
DTXSID
DTXSID2059770
ChEMBL
CHEMBL3272628
ChEBI
CHEBI:31249
UNII
82R6M9MGLP
EC Number
205-993-6
Nikkaji
J39.308H

물성

구조 계산 물성

XLogP
3.2
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (Azulene) -> CIR (Cosmetic Ingredient Review)

Soothing

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.22

물리화학적 성질

녹는점
98 · 98-100 °C(lit.)
끓는 점
242 °C · 242 °C(lit.)
밀도
1.053 · 1.0530
굴절률
1.5736 · 1.5736 (estimate)
인화점
241 · 241-243°C
저장 조건
2 °C · Store at +2°C to +8°C.

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

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

Chemical: Azulene

Azulene: 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 CategoriesAquatic Chronic 2 (90.9%)

독성 정보

TreatmentThere is no know antidote for PAHs. Exposure is usually handled with symptomatic treatment. (L10)
Health EffectsPAHs 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)
Exposure RoutesOral (L10) ; inhalation (L10)
Toxicity Summary · 3건

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 supported

The 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 SymptomsAcute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. (A10)
Carcinogen ClassificationNot listed by IARC.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
CO4570000
ridadr
UN 3077 9/PG 3
독성
LD50 orl-rat: >4 g/kg DRUGAY 6,13,82
HS 번호
29029000

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

PAH metabolism occurs in all tissues, usually by cytochrome P-450 and its associated enzymes. PAHs are metabolized into reactive intermediates, which include epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations. The phenols, quinones, and dihydrodiols can all be conjugated to glucuronides and sulfate esters; the quinones also form glutathione conjugates. (L10)

MeSH Pharmacological Classification · 1건

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

용도 및 제조

Uses · 2건

CIR ingredient: Azulene

PAHs are released into the environment via the combustion of fossil fuels, coke oven emissions and vehicle exhausts, as well as naturally from forest fires and vocanic eruptions. PAHs from these sources may contaminate nearly water systems. They are also found in coal tar and charbroiled food. (L10)

Use ClassificationCosmetics -> Soothing
General Manufacturing InformationAzulene: ACTIVE

응용 분야

용도azulene 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!

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
추가 설명 · 1건

정의ChEBI: Azulene is a mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. It has a role as a plant metabolite and a volatile oil component. It is an ortho-fused bicyclic arene, a member of azulenes and a mancude carbobicyclic parent.

관련 반응

6건

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