81818-54-4

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81818-54-4 Structure

Identification	Back Directory
[Name] 2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone
[CAS] 81818-54-4
[Synonyms] Einecs 279-833-9 Dry Vitamin K1 5% SD Vitamin K1 ( Phytomenadione) 2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone
[EINECS(EC#)] 279-833-9
[Molecular Formula] C31H46O2
[MDL Number] MFCD01941450
[MOL File] 81818-54-4.mol
[Molecular Weight] 450.7

Chemical Properties	Back Directory
[Boiling point ] 546.4±50.0 °C(Predicted)
[density ] 0.963±0.06 g/cm3(Predicted)
[InChI] InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3
[InChIKey] MBWXNTAXLNYFJB-UHFFFAOYSA-N
[SMILES] C1(=O)C2=C(C=CC=C2)C(=O)C(CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)=C1C

Safety Data	Back Directory
[Hazard statements ] H413

Hazard Information	Back Directory
[Definition] ChEBI: 2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione is a member of 1,4-naphthoquinones.

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