2-Dodecanone

2-Dodecanone
Compound Structure:
Synonyms: 2-Dodecanone;Dodecan-2-one;6175-49-1;Decyl methyl ketone;METHYL DECYL KETONE;Dodecanone-(2)
Compound ID: NMPC-227
PubChem ID:

22556
Molecular Formula: C12H24O
Canonical SMILES: CCCCCCCCCCC(=O)C
InChIKey: LSKONYYRONEBKA-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

184.32 g/mol

XLogP3

4.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

9

Exact Mass

184.182715385 g/mol

Monoisotopic Mass

184.182715385 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

118

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Melting point = 21 deg C; [ChemIDplus] Clear, light yellow liquid; [Aldrich MSDS]

Boiling Point

245.00 to 246.00 °C. @ 760.00 mm Hg

Melting Point

21 °C

Source: PubChem
Source Species: Morinda lucida
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