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(+/-) -Perillaldehyde

CAT: 0926-FP61740-03Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-FP61740-03Size:500 g
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CAS Number
2111-75-3
Synonyms
Perillaldehyde
Smiles
CC (=C) C1CCC (=CC1) C=O
Molecular Formula
C10H14O
Molecular Weight
150.22 g/mol
Controlled
No

Chemical Information

Perillaldehyde

Perillyl aldehyde is an aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4. It has a role as a volatile oil component, a mouse metabolite and a human metabolite. It is an aldehyde and an olefinic compound.

CAS Number2111-75-3
PubChem CID16441
IUPAC Name4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP2.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity201
SMILES
CC(=C)C1CCC(=CC1)C=O
InChI
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
InChIKey
RUMOYJJNUMEFDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perillaldehyde
CAS: 2111-75-3
CID: 16441
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-P229700-5G(±)-Perillaldehyde
TBZ2757(-)-Perillaldehyde
GTR19221862-01(+) -Perillaldehyde
T201464-01(±) -Perillaldehyde
BUP16018(-) -Perillaldehyde
C09204-25mgPerillaldehyde
MBS5788815(+)-Perillaldehyde
HY-N9840-01(R) -Perillaldehyde
288469-01(-) -Perillaldehyde discontinued
TRC-P287400-10MG(R)-Perillaldehyde

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