p-Menth-1-en-9-al

p-Menth-1-en-9-al
Compound Structure:
Synonyms: P-Menth-1-en-9-al; 29548-14-9 ;1-p-Menthen-9-al; 2-(4-methylcyclohex-3-en-1-yl)propanal p-Menth-1-ene-9-al
Compound ID: NMPC-1424
PubChem ID:

520440
Molecular Formula: C10H16O
Canonical SMILES: CC1=CCC(CC1)C(C)C=O
InChIKey: UMEJBWOWZDRULR-UHFFFAOYSA-N
About the compound:

1-p-menth-1-ene-9-al is a monoterpenoid that is propanal substituted by a 4-methylcyclohex-3-en-1-yl group at position 2. It has a role as a metabolite. It is a monoterpenoid and an aldehyde. It derives from a hydride of a p-menthane.

GHS Hazard Statements

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

152.23 g/mol

XLogP3-AA

2.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

152.120115130 g/mol

Monoisotopic Mass

152.120115130 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

170

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colourless liquid; powerful spicy, herbaceous odour

Density

0.904-0.916 (20°)

Solubility 

Insoluble in water; soluble in oils

Source: PubChem                        
Source Species: Mucuna pruriens
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