piperitenone

piperitenone
Compound Structure:
Synonyms: Piperitenone; 491-09-8 ;3-Terpinolenone ;Pulespenone; p-Mentha-1,4(8)-dien-3-one
Compound ID: NMPC-1420
PubChem ID:

381152
Molecular Formula: C10H14O
Canonical SMILES: CC1=CC(=O)C(=C(C)C)CC1
InChIKey: HKZQJZIFODOLFR-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

• H412 (100%): Harmful 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

150.22 g/mol

XLogP3-AA

2.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

150.104465066 g/mol

Monoisotopic Mass

150.104465066 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

240

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

Yellow to amber oily liquid, powerful sharp, minty, phenolic odour

Boiling Point

106.00 to 107.00 °C. @ 10.00 mm Hg

Density

0.976-0.983

Solubility 

insoluble in water; soluble in oils

Source: PubChem
Source Species: Tagetes erecta
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