ChemicalBook--->CAS DataBase List--->5405-79-8

5405-79-8

5405-79-8 Structure

5405-79-8 Structure
IdentificationMore
[Name]

2,2-DIMETHYL-3-HEXANONE
[CAS]

5405-79-8
[Synonyms]

2,2-DIMETHYL-3-HEXANONE
TERT-BUTYL N-PROPYL KETONE
2,2-dimethyl-hexan-3-one
3-Hexanone,2,2-dimethyl-
tert-Butyl Propyl ketone
2,2-Dimethy-3-hexanone
[EINECS(EC#)]

611-088-0
[Molecular Formula]

C8H16O
[MDL Number]

MFCD00027140
[Molecular Weight]

128.21
[MOL File]

5405-79-8.mol
Chemical PropertiesBack Directory
[Melting point ]

-32.24°C (estimate)
[Boiling point ]

145.85°C
[density ]

0.8105
[vapor pressure ]

4.66hPa at 20℃
[refractive index ]

1.4105
[storage temp. ]

Storage temp. 2-8°C
[form ]

solid
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3
[InChIKey]

PYCHXHVFOZBVEY-UHFFFAOYSA-N
[SMILES]

CC(C)(C)C(=O)CCC
[CAS DataBase Reference]

5405-79-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT, FLAMMABLE
[HS Code ]

2914199090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Colorless transparent liquid
[Synthesis Reference(s)]

Tetrahedron, 29, p. 479, 1973 DOI: 10.1016/S0040-4020(01)93321-6
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,2-Dimethyl-3-hexanone, 99%(5405-79-8)
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