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Anethole trithione Structure

Anethole trithione

Chemical Properties

Melting point 111°
Boiling point 353.09°C (rough estimate)
Density  1.4406 (rough estimate)
refractive index  1.5080 (estimate)
storage temp.  2-8°C
solubility  Chloroform[soluble in]
solubility  soluble in Chloroform
form  powder to crystal
color  Orange-colored prisms from butyl acetate
Odor very bitter taste
InChI InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
InChIKey KYLIZBIRMBGUOP-UHFFFAOYSA-N
SMILES S1C(C2=CC=C(OC)C=C2)=CC(=S)S1
CAS DataBase Reference 532-11-6(CAS DataBase Reference)
EWG's Food Scores 1
NCI Dictionary of Cancer Terms anetholtrithione
FDA UNII QUY32964DJ
NIST Chemistry Reference 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)-(532-11-6)
ATC code A16AX02

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H315-H319-H332-H335
Precautionary statements P261-P280-P305+P351+P338
HS Code  2934.99.3000
Toxicity LD50 orl-mus: 3850 mg/kg NIIRDN 6,25,82
NFPA 704:
0
1 0

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