ChemicalBook--->CAS DataBase List--->5166-53-0

5166-53-0

5166-53-0 Structure

5166-53-0 Structure
IdentificationMore
[Name]

5-METHYL-3-HEXEN-2-ONE
[CAS]

5166-53-0
[Synonyms]

5-METHYL-3-HEXEN-2-ONE
5-METHYLHEX-3-EN-2-ONE
FEMA 3409
(3E)-5-Methyl-3-hexen-2-one
2-Oxo-5-methylhex-3-ene
3-Hexen-2-one, 5-Me
5-methyl-3-hexen-2-on
5-METHYL-3-HEXEN-2-ONE, TECH., 80%
3-Hexen-2-one, 5-methyl-
3-HEXAN-2-ONE,5-METHYL
[EINECS(EC#)]

225-950-5
[Molecular Formula]

C7H12O
[MDL Number]

MFCD00012166
[Molecular Weight]

112.17
[MOL File]

5166-53-0.mol
Chemical PropertiesBack Directory
[Boiling point ]

157°C
[density ]

0.85 g/mL at 25 °C(lit.)
[FEMA ]

3409
[refractive index ]

n20/D 1.44(lit.)
[Fp ]

118 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 100.00 %. sweet berry cheese
[Odor Type]

fruity
[JECFA Number]

1132
[InChI]

1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+
[InChIKey]

IYMKNYVCXUEFJE-SNAWJCMRSA-N
[SMILES]

CC(C)\C=C\C(C)=O
[LogP]

1.44
[CAS DataBase Reference]

5166-53-0(CAS DataBase Reference)
[EPA Substance Registry System]

3-Hexen-2-one, 5-methyl- (5166-53-0)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

3
[RTECS ]

MP8750000
[TSCA ]

TSCA listed
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2914199090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutyraldehyde-->5-Methyl-2-hexanone
Hazard InformationBack Directory
[Occurrence]

Reported found in roasted filberts, green tea, cooked and roasted shrimp.
[Uses]

5-Methyl-3-hexen-2-one was used in combinatorial synthesis of mercaptoketones and mercaptoalcohols.
[General Description]

5-methyl-3-hexen-2-one reacts with indole in the presence of pyrrolidine and p-TsOH in CH2Cl2 to yield the 3-substituted indole adduct.
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHYL-3-HEXEN-2-ONE(5166-53-0)MS
5-METHYL-3-HEXEN-2-ONE(5166-53-0)1HNMR
5-METHYL-3-HEXEN-2-ONE(5166-53-0)IR1
5-METHYL-3-HEXEN-2-ONE(5166-53-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Methyl-3-hexen-2-one, 75%(5166-53-0)
[Sigma Aldrich]

5166-53-0(sigmaaldrich)
[TCI AMERICA]

5-Methyl-3-hexen-2-one,>75.0%(GC)(5166-53-0)
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