ISO 17034:
Catalog Number : CS-T-21588
CAS Number : 518-82-1
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What is the Chemical Information of Emodin?

Chemical Name : Emodin
Category : API Standards

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Canonical SMILES : CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
Isomeric SMILES : CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
InChI : InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
IUPAC Name : 1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Exact Mass : 270.05282342
Color : Orange needles from alcohol or by sublimation at 12 mm
Odor : Orange crystals
Melting Point : 493 to 495 °F (NTP, 1992)
Boiling Point : Sublimes (NTP, 1992)
Solubility : less than 1 mg/mL at 66° F (NTP, 1992)
Use Classification : Polyketides [PK] -> Aromatic polyketides [PK13] -> Anthracenes and phenanthrenes [PK1304]
Hazard Class : Skin Irrit. 2 (94%)
Description : Emodin is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. It has a role as a tyrosine kinase inhibitor, an antineoplastic agent, a laxative and a plant metabolite. It derives from an emodin anthrone. It is a conjugate acid of an emodin(1-).
Disposal Methods : SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
EC Number : 208-258-8
Antidoteand Emergency Treatment : SKIN CONTACT: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.