Myrtenal

Compound Structure:

Synonyms:

6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde; Myrtenal; (1R)-(-)-Myrtenal; Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-; D-myrtenal; (+)-Myrtenal; (1S)-Myrtenal; 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-

Compound ID:

NMPC-1281

PubChem ID:

61130

Molecular Formula:

C10H14O

Canonical SMILES:

CC1(C2CC=C(C1C2)C=O)C

InChIKey:

KMRMUZKLFIEVAO-UHFFFAOYSA-N

About the compound:

Myrtenal is a bicyclic monoterpenoid with the chemical formula C10H14O. It is a naturally occurring molecule that can be found in numerous plant species including Hyssopusofficinalis, Salvia absconditiflora, and Cyperusarticulatus.[1]

GHS Hazard Statements

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

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	150.22 g/mol
XLogP3-AA	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	150.104465066 g/mol
Monoisotopic Mass	150.104465066 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	225
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; refreshing, spicy-herbaceous odour
Density	0.984-0.990
Solubility	Insoluble in water; soluble in oils

Source: PubChem

Source Species:

Cyperus articulatus

Download SDF