기본 정보
- CAS
517-28-2- 표준 SMILES
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2- InChIKey
WZUVPPKBWHMQCE-XJKSGUPXSA-N- 분자식
- C16H14O6
- 평균 분자량
- 302.28 g/mol
- 단동위원소 질량
- 302.07903817
개요
Hematoxylin appears as white to yellowish crystals that redden on exposure to light. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Hematoxylin
- IUPAC
- (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
- 현지명
- 로그우드목부추출물
- 영어명
- Logwood extract
- 분자량
- 0
이름 및 동의어
HEMATOXYLIN517-28-2HaematoxylinHydroxybrazilinHydroxybrasilinNatural Black 1(+)-HematoxylinHydroxylrasilinDTXSID8020678YKM8PY2Z55(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentolBenz(b)indeno(1,2-d)pyran-3,4,6a,9,10(6H)-pentol, 7,11b-dihydro-, cis-(+)-
이름 더 보기
로그우드목부추출물로그우드추출물C.I. Natural Black 1Hematoksylinhaematoxylum campechianum wood extractHAEMATOXYLON CAMPECHIANUM WOOD EXTRACT
CHEBI:5601hematoxilineC.I. 75290NSC-270085Hemotoxylincis-(+)-7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentolCHEBI:51686(6aS,11bR)-7,11b-dihydro-6H-indeno(2,1-c)chromene-3,4,6a,9,10-pentol
데이터베이스 식별자
- CAS
517-28-2、8005-33-2- PubChem CID
- 442514
- DTXSID
DTXSID8020678- ChEMBL
CHEMBL1479103、CHEMBL477197
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 444
실험 및 물리화학적 성질
Chemical ClassesDyes -> Other Dyes
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Neoflavonoids [PK1210]
CosmeticsAstringent; Antimicrobial
Food AdditivesDrugs -> FDA Regulatory Status of Color Additives
SolubilitySlightly soluble in cold; soluble in hot (NTP, 1992)
Melting Point212 to 248 °F (NTP, 1992)
Optical RotationSPECIFIC OPTICAL ROTATION: +11 (WATER, 3.7%); MAX ABSORPTION (0.1 N KOH): 499 NM, 534.4 NM, 565 NM, 615.5 NM
Physical Description
Hematoxylin appears as white to yellowish crystals that redden on exposure to light. (NTP, 1992)
Trihydrate: White to yellowish solid; Turns red when exposed to light; [Merck Index] Slightly beige powder; [MSDSonline]
Stability/Shelf LifeTURNS RED ON EXPOSURE TO LIGHT; ITS SOLN DARKEN ON STANDING /TRIHYDRATE/
Collision Cross Section155.96 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5% (3 of 60) of reports.
Warning
H302 (76.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol, 7,11b-dihydro-, cis-(+)-
Chemical: C.I. Natural Black 1
Status: Active Update: 01-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28003
Hematoxylin: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; May be harmful if ingested; Do not breathe dust; [MSDSonline]
Reactive GroupPhenols and Cresols
Reactivity ProfileSensitive to light. (NTP, 1992).
Air and Water ReactionsSoluble in hot water, slightly water soluble in cold (NTP, 1992).
Hazard Classes and CategoriesAcute Tox. 4 (76.7%)
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
화학 및 산업
약리 정보
Mechanism of ActionBRAZILIN, TOGETHER WITH HEMATOXYLIN, A CONSTITUENT OF HAEMATOXYLON CAMPECHIANUM WOOD, EXHIBITED ANTIINFLAMMATORY ACTIVITIES IN CARRAGEENIN-INDUCED RAT PAW EDEMA TEST & FERTILE EGG TEST.
MeSH Pharmacological ClassificationChemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
용도 및 제조
Uses
Found in the heart-wood of logwood; Used as microscopy stain and to make inks; [Merck Index]
BIOLOGICAL STAIN IN MICROSCOPY, EG, HISTOLOGY; MFR OF INKS
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Methods of Manufacturing
EXTRACTED FROM THE HEART-WOOD OF THE TREE HAEMATOXYLON CAMPECHIANUM L., LEGUMINOSAE (LOGWOOD)
SYNTH: DANN, HOFMAN, ANGEW CHEM 75, 1125 (1963); MORSINGH, ROBINSON, TETRAHEDRON 26, 281 (1970)...
Use ClassificationCosmetics -> Astringent; Antimicrobial
General Manufacturing Information
Benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol, 7,11b-dihydro-, (6aS,11bR)-: ACTIVE
C.I. Natural Black 1: INACTIVE
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