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ChemicalBook--->CAS DataBase List--->138139-82-9

138139-82-9

138139-82-9 Structure

138139-82-9 Structure
IdentificationBack Directory
[Name]

(E)-6,6-DiMethyl-2-hepten-4-ynal
[CAS]

138139-82-9
[Synonyms]

Terbinafine Related Compound 5
(E)-6,6-DiMethyl-2-hepten-4-ynal
(E)-6,6-Dimethylhept-2-en-4-ynal
trans-6,6-dimethylhept-2-en-4-yn-1-al
2-Hepten-4-ynal, 6,6-dimethyl-, (E)- (9CI)
[Molecular Formula]

C9H12O
[MDL Number]

MFCD29039370
[MOL File]

138139-82-9.mol
[Molecular Weight]

136.19
Chemical PropertiesBack Directory
[Boiling point ]

197.0±23.0 °C(Predicted)
[density ]

0.899±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, Refrigerator, Under inert atmosphere
[solubility ]

Chloroform, DMSO (Slightly), Ethyl Acetate
[form ]

Oil
[color ]

Light Yellow to Yellow
[Stability:]

Light Sensitive, Moisture Sensitive
[InChI]

InChI=1S/C9H12O/c1-9(2,3)7-5-4-6-8-10/h4,6,8H,1-3H3/b6-4+
[InChIKey]

ITSLKJVPPOREBI-GQCTYLIASA-N
[SMILES]

C(=O)/C=C/C#CC(C)(C)C
Hazard InformationBack Directory
[Uses]

(E)-6,6-Dimethyl-2-hepten-4-ynal, can be used in the synthesis of Terbinafine Hydrochloride (T107500), which is a synthetic allylamine antifungal.
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