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About This Item
Linear Formula:
H2C=C(CH3)CH2CH2COCH3
CAS Number:
Molecular Weight:
112.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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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Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3
WGK
WGK 3
Flash Point(F)
107.6 °F
Flash Point(C)
42 °C
Regulatory Information
危险化学品
Certificates of Analysis (COA)
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Tetrahedron, 41, 4633-4633 (1985)
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)
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)
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