ChemicalBook--->CAS DataBase List--->117569-57-0

117569-57-0

117569-57-0 Structure

117569-57-0 Structure
IdentificationBack Directory
[Name]

TIMTEC-BB SBB010773
[CAS]

117569-57-0
[Synonyms]

TIMTEC-BB SBB010773
4-(3-HYDROXY-3-METHYL-BUT-1-YNYL)-BENZALDEHYDE
Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butynyl)-
4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZALDEHYDE
4-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzaldehyde
Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-
4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde AldrichCPR
4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde(SALTDATA: FREE)
[Molecular Formula]

C12H12O2
[MDL Number]

MFCD07187866
[MOL File]

117569-57-0.mol
[Molecular Weight]

188.22
Chemical PropertiesBack Directory
[Boiling point ]

326.5±27.0 °C(Predicted)
[density ]

1.12±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

13.20±0.29(Predicted)
[InChI]

1S/C12H12O2/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,9,14H,1-2H3
[InChIKey]

SLKHCIZTANAAEH-UHFFFAOYSA-N
[SMILES]

O=C([H])C1=CC=C(C=C1)C#CC(C)(C)O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36-43-52
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2912490090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 3
Eye Irrit. 2
Skin Sens. 1
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