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Structure

14-Heptacosanone

CAS
542-50-7
Catalog Number
ACM542507
Category
Other Products
Molecular Weight
394.7
Molecular Formula
C27H54O

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Specification

Synonyms
Myristic ketone
IUPAC Name
Heptacosan-14-one
Canonical SMILES
CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C27H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChI Key
VCZMOZVQLARCOE-UHFFFAOYSA-N
Boiling Point
443.86 °C
Melting Point
76-78 °C
Flash Point
56.1ºC
Density
0.8686 g/mL at 20 °C(lit.)
EC Number
208-815-5
Exact Mass
394.417466342
Hazard Statements
Xi,N
H-Bond Acceptor
1
H-Bond Donor
0
Monoisotopic Mass
394.417466342
Physical State
Solid
Refractive Index
n20/D 1.4758(lit.)
Safety Description
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
Storage Conditions
Room Temperature
Topological Polar Surface Area
17.1 Ų
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