structure of Megastigmatrienone A

Megastigmatrienone A

CAS No.: 5492-79-5
M. Wt: 190.28100
M. Fa: C13H18O
InChI Key: CBQXHTWJSZXYSK-DVIJZSFDSA-N

Names and Identifiers of Megastigmatrienone A

CAS Number

5492-79-5

EC Number

236-187-2

IUPAC Name

(4Z)-4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one

InChI

InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5+,12-7+

InChIKey

CBQXHTWJSZXYSK-DVIJZSFDSA-N

Canonical SMILES

CC=CC=C1C(=CC(=O)CC1(C)C)C

Isomeric SMILES

C/C=C/C=C/1\C(=CC(=O)CC1(C)C)C

UNII

3QY2F7PCN3

Physical and chemical properties of Megastigmatrienone A

Density

0.985-1.005

Exact Mass

190.13600

Index of Refraction

1.536-1.556

LogP

3.43420

Molecular Formula

C13H18O

Molecular Weight

190.28100

PSA

17.07000

Solubility

Soluble (in ethanol)

Safety Information of Megastigmatrienone A

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of Megastigmatrienone A

Megastigmatrienone A finds applications primarily in the food and beverage industry due to its aromatic properties. It is used as a flavoring agent in spirits and wines, enhancing their olfactory profiles. Moreover, it serves as a model compound for studying aroma compounds in various food matrices.