기본 정보
- CAS
83-72-7- 표준 SMILES
O=C1C=C(O)c2ccccc2C1=O- InChIKey
CSFWPUWCSPOLJW-UHFFFAOYSA-N- 분자식
- C10H6O3
- 평균 분자량
- 174.15 g/mol
- 단동위원소 질량
- 174.03169405
개요
Lawsone is 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. It has a role as an antifungal agent and a protective agent. It is a tautomer of a naphthalene-1,2,4-trione.
이름 및 식별자
- 우선 이름
- 2-Hydroxy-1,4-naphthoquinone
- IUPAC
- 4-hydroxynaphthalene-1,2-dione
- 현지명
- 로우손
- 영어명
- 2-Hydroxy-1,4-naphoquinone
- 분자식
- C10H6O3
- 분자량
- 174.15
이름 및 동의어
Lawsone83-72-72-Hydroxy-1,4-naphthoquinone2-hydroxynaphthalene-1,4-dione2-Hydroxy-1,4-naphoquinone2-HydroxynaphthoquinoneHennaMehendiHANALawsonNatural Orange 6Mendi
이름 더 보기
2-히드록시-1,4-나프토퀴논로우손헨나3-Hydroxy-1,4-naphthoquinone
1,4-Naphthalenedione, 2-hydroxy-4-hydroxynaphthalene-1,2-dione2-Hydroxy-1,4-naphthalenedioneC.I. Natural Orange 61,4-Naphthoquinone, 2-hydroxy-2-Hydroxy-p-naphthoquinoneC.I. 75480NSC 8625
데이터베이스 식별자
- CAS
83-72-7- PubChem CID
- 6755
- DTXSID
DTXSID2025428- ChEMBL
CHEMBL240963- ChEBI
CHEBI:44401- UNII
- TLH4A6LV1W
- Nikkaji
- J2.169.330H、J4.642F
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 54.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 291
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsHair dyeing; Skin conditioning; Bulking
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP1.38
Food AdditivesCosmetics -> FDA Regulatory Status of Color Additives
물리화학적 성질
- 녹는점
- 192 · 192-195 °C (dec.)(lit.)
- 끓는 점
- 265.11 °C · 265.11°C (rough estimate)
- 밀도
- 1.2346 · 1.2346 (rough estimate)
- 굴절률
- 1.5036 · 1.5036 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 4.31 · 4.31±0.10(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 노란색
- 수용성
- 2 g/L · 2g/L(20℃)
- Merck
- 14 · 14,5393
- BRN
- 1565260 · 1565260
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 필러머리 염색피부 컨디셔닝
- InChI
- 1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
- InChIKey
- CSFWPUWCSPOLJW-UHFFFAOYSA-N
- SMILES
- OC1=CC(=O)c2ccccc2C1=O
- LogP
- 1.38 · 1.380
- NIST
- 1 · 1,4-Naphthalenedione, 2-hydroxy-(83-72-7)
- EPA
- 2 · 2-Hydroxy-1,4-naphthoquinone (83-72-7)
화학적 성질
Yellow crystal powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QL8200000
- HS 번호
- 29146990
- risk_code
- 36/37/38-68-36-22
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37/39-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Cosmetics -> Hair dyeing; Skin conditioning; Bulking
응용 분야
역사Lawsone (CI Natural Orange 6; CI 75420), also known as henna and isojuglone, occurs in the shrub henna (Lawsone alba). In England, the plant is known as Egyptian privet. The dye was extracted from the leaves of the plant, using sodium bicarbonate, and the extracts used to dye protein fibers an orange shade. Henna is probably the oldest cosmetic known. The ancient Egyptians used it as a hair dye and for staining fingernails. It is said that Mohammed dyed his beard with henna. Lawsone has been identified as 2-hydroxy-1,4-naphthoquinone. It has been synthesized by the Thiele acetylation of 1,4-naphthoquinone followed by hydrolysis and oxidation.
용도antifungal, sunscreen, antibacterial, antineoplastic
일반 설명Yellow prisms or yellow powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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추가 설명
정의A coloring principle obtained from dried leaves of certain tropical plants (North Africa, India).
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