基本情報
- CAS
517-28-2- 標準SMILES
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2- InChIKey
WZUVPPKBWHMQCE-XJKSGUPXSA-N- 分子式
- C16H14O6
- 平均分子量
- 302.28 g/mol
- 単同位体質量
- 302.07903817
概要
Hematoxylin appears as white to yellowish crystals that redden on exposure to light. (NTP, 1992)
名称と識別子
- 優先名称
- Hematoxylin
- IUPAC
- (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
- 現地名
- ログウッドエキス
- 英語名
- Logwood extract
- 分子量
- 0
名称と別名
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-(+)-
名称をさらに表示
ログウッドエキスC.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
データベース識別子
- CAS
517-28-2、8005-33-2- PubChem CID
- 442514
- DTXSID
DTXSID8020678- ChEMBL
CHEMBL1479103、CHEMBL477197- ChEBI
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 6
- 回転可能結合数
- 0
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 444
実験および物理化学的性質
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]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全と保護具
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.
化学と産業
薬理情報
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.
用途と製造
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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