p-Menthylacetophenone

p-Menthylacetophenone
Compound Structure:
Synonyms: 4'-Methylacetophenone; 122-00-9; 1-(p-Tolyl)ethanone; p-Methylacetophenone ;1-(4-Methylphenyl)ethanone
Compound ID: NMPC-1428
PubChem ID:

8500
Molecular Formula: C9H10O
Canonical SMILES: CC1=CC=C(C=C1)C(=O)C
InChIKey: GNKZMNRKLCTJAY-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H315 (82.38%): Causes skin irritation [Warning Skin corrosion/irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

134.17 g/mol

XLogP3

2.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

134.073164938 g/mol

Monoisotopic Mass

134.073164938 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

121

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

low melting colourless or opaque crystalline mass (tends to supercool) with a strong fruity-floral, warm, sweet odour

Boiling Point

222.00 to 226.00 °C. @ 756.00 mm Hg

Melting Point

28 °C

Solubility 

insoluble in water; soluble in organic solvents, oils

Vapor Pressure

0.22 [mmHg]

Source: PubChem            
Source Species: Eucalyptus torelliana
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