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364479

Sigma-Aldrich

5-Methyl-5-hexen-2-one

99%

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About This Item

Linear Formula:
H2C=C(CH3)CH2CH2COCH3
CAS Number:
3240-09-3
Molecular Weight:
112.17
EC Number:
221-807-6
MDL number:
MFCD00014995
UNSPSC Code:
12352100
PubChem Substance ID:
24862433

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.431 (lit.)

bp

148-149 °C (lit.)

density

0.865 g/mL at 25 °C (lit.)

SMILES string

CC(=C)CCC(C)=O

InChI

1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3

InChI key

VBCIOOKAKHGVMI-UHFFFAOYSA-N

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Related Categories

Signal Word

Danger

Hazard Statements

H226 - H302 - H318

Precautionary Statements

P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

107.6 °F - closed cup

Flash Point(C)

42 °C - closed cup

Certificates of Analysis (COA)

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Convenient method for the synthesis of lineatin, a pheromone component of Trypodendron lineatum.
Baeckstroem P, et al.
The Journal of Organic Chemistry, 56(10), 3358-3362 (1991)
Palladium-catalyzed synthesis of allylic tertiary amines from vinylic bromides, olefins, and secondary amines.
Patel BA and Heck RF.
The Journal of Organic Chemistry, 43(20), 3898-3903 (1978)
Tetrahedron, 41, 4633-4633 (1985)

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