CAS 5503-12-8|(R)-1,8-对孟二烯-7-醛|(4R)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde|(+)-紫苏醛|(4R)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde|(+)-Perillaaldehyde|(R)-4-Isopropenylcyclohex...

General Information

Structure

Molecular Formula

C₁₀H₁₄O

Molecular Mass

150.21756

Exact Mass

150.10446507

Charge

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m0/s1

InChIKey

RUMOYJJNUMEFDD-JTQLQIEISA-N

Canonic Smiles

O=CC1=CC[C@@H](CC1)C(=C)C

Isomeric Smiles

CC(=C)[C@@H]1CCC(=CC1)C=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.252889

LogD (pH = 7.4)

2.252889

Log P

2.252889

Molar Refractivity

47.2721

Polarizability

18.023672

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

(4R)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde

Synonyms

(+)-紫苏醛(R)-1,8-对孟二烯-7-醛(+)-Perillaaldehyde(R)-4-Isopropenylcyclohexene-1-carboxaldehyde(R)-p-Mentha-1,8-dien-7-al(R)-4-异丙烯基环己-1-烯-1-醛(4R)-4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde(R)-Perillaldehyde(R)-4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carboxaldehyde(R)-(+)-Perillaldehyde(+)-Perillaldehyde

IUPAC Traditional name

(4R)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

Beilstein Number

PubChem CID

Registration numbers

Properties

Product Information

Optical Purity

enantiomeric ratio: ≥99:1 (GC)

Empirical Formula (Hill Notation)

C10H14O

Purity

≥98.0% (sum of enantiomers, GC)

Certificate of Analysis

Download link

Physical Property

Density

0.966 g/mL at 20 °C(lit.)

Optical Rotation

[α]20/D +136.0±2°, c = 10% in ethanol

Refractive Index

n20/D 1.505

Solubility

Dichloromethane

Ether

Apperance

Pale Yellow Oil

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

77301

Other Notes
Highly purified (+)-perillaaldehyde useful as chiral building block1,2,3

TRC

P287400

An additive which contributes spiciness to foods. This compound is also often used as a regent in the preparation of its reduced alcohol, a compound commonly used in perfumery.

Molecule Details

References

PubChem Literature

From Data Sources

• Hardcastle, I., et al.: Biochem. Pharmacol., 57, 801 (1999)

• Mookdasanit, J., et al.: Food Sci. Technol. Res., 8, 367 (1999)

• Jang, Y., et al.: J. Agric. Food Chem., 53, 7892 (1999)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

(4R)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde

Synonyms

IUPAC Traditional name

(4R)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde

Registration numbers

MDL Number

CAS Number

PubChem SID

Beilstein Number

PubChem CID

Properties

Product Information

Optical Purity

enantiomeric ratio: ≥99:1 (GC)

Empirical Formula (Hill Notation)

C10H14O

Purity

≥98.0% (sum of enantiomers, GC)

Certificate of Analysis

Download link

Physical Property

Density

0.966 g/mL at 20 °C(lit.)

Optical Rotation

[α]20/D +136.0±2°, c = 10% in ethanol

Refractive Index

n20/D 1.505

Solubility

Dichloromethane

Ether

Apperance

Pale Yellow Oil

Molecule Details

Sigma Aldrich

77301

Other Notes
Highly purified (+)-perillaaldehyde useful as chiral building block1,2,3

TRC

P287400

An additive which contributes spiciness to foods. This compound is also often used as a regent in the preparation of its reduced alcohol, a compound commonly used in perfumery.

References

PubChem Literature

From Data Sources

• Hardcastle, I., et al.: Biochem. Pharmacol., 57, 801 (1999)

• Mookdasanit, J., et al.: Food Sci. Technol. Res., 8, 367 (1999)

• Jang, Y., et al.: J. Agric. Food Chem., 53, 7892 (1999)

Bioactivity

PubChem BioAssay

Molecule

ID:134476