(E)-beta-Damascenone

  • Identifiers

    CAS mumber
    23726-93-4

    Molecular formula
    C13H18O

    SMILES
    C/C=C/C(=O)C1=C(C=CCC1(C)C)C

    Retention indicies (RI)

    • DB5: 1381.75
    • Carbowax: 1813.0

  • Properties

    XLogP3-AA
    3.2 Well soluble in DEP, BB, MMB

    Molecular weight
    190.28 g/mol

    Boiling points

    • 274.00 to 276.00 °C. @ 760.00 mm Hg

    Solubilities

    • 1 ml in 10 ml 95% alcohol (in ethanol)

  • Synonyms

    • Damascenone
    • beta-Damascenone
    • 23696-85-7
    • 23726-93-4
    • trans-beta-Damascenone
    • trans-damascenone
    • .beta.-Damascenone
    • 2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
    • 1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
    • (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
    • Damascenone (natural)
    • FEMA No. 3420
    • (E)-.beta.-Damascenone
    • U66V25TBO0
    • (E)-beta-damascenone
    • beta-(E)-damascenone
    • (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
    • EINECS 245-833-2
    • EINECS 245-844-2
    • (2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
    • DAMASCENONE,.BETA.-
    • 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one
    • TRANS-.BETA.-DAMASCENON
    • DTXSID6041397
    • 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
    • CHEBI:67251
    • .BETA.-DAMASCENONE [MI]
    • DTXCID80196511
    • DTXSID90885242
    • .BETA.-DAMASCENON, TRANS-
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-
    • 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one
    • (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-
    • 2-Buten-1-one,1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-
    • 2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene
    • (e)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one
    • 4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE [FHFI]
    • UNII-U66V25TBO0
    • 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2E-buten-1-one
    • 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2-buten-1-one
    • Damascenone, trans-
    • MFCD00101024
    • damascenone (e-beta)
    • Damascenone (Standard)
    • ?-Damascenone, 90%
    • DAMASCENONE,BETA-
    • trans-.beta.-Damascenone
    • .beta.-(E)-Damascenone
    • TRANS-BETA-DAMASCENON
    • SCHEMBL80947
    • BETA-DAMASCENON, TRANS-
    • Damascenone, analytical standard
    • CHEMBL3733030
    • DTXCID4021397
    • HY-N2543R
    • 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene
    • HY-N2543
    • Tox21_304001
    • LMPR01070304
    • s6431
    • AKOS015914961
    • FD74155
    • NCGC00357220-01
    • AC-34815
    • BS-16271
    • FD174945
    • CAS-23696-85-7
    • CS-0022815
    • NS00013181
    • 1-crotonoyl-2,6,6-trimethylcyclohexa-1,3-diene
    • 2,6,6-trimethyl-1-crotonoyl-1,3-cyclohexadiene
    • A816852
    • Q416126
    • 4-(2,6,6-Trimethyl cyclohexa-1,3-dienyl)but-2-en-4-one
    • 4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE
    • Damascenone, natural, 1.1-1.3 wt. % (190 proof ethanol), FG
    • (2 E)-1-(2,6,6-trimethylcyclohexane-1,3-dien-1-yl)but-2-en-1-one
    • 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, trans-
    • 245-833-2
    • 245-844-2
1 3

Botanical

Name CAS Botanical Proportion
Tessaria absinthioides (Argentina) Tessaria absinthioides (Hook et Arn.) D. Candole, fam. Asteraceae (Comp.) 7.5%
Teucrium heterophyllum (Canary Islands) Teucrium heterophyllum L'Her. (T. canariensis), fam. Lamiaceae (Labiatae) 0.4%
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.06%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Orthodon dianthera (Vietnam) Orthodon dianthera Maxim. (Mosla dianthera Maxim.), fam. Lamiaceae 0.05%
Seafennel (Greece) 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.1%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 2.1%
Inula verbascifolia ssp. methanea Inula verbascifolia ssp methanea (Hausskn.) Turin, fam. Asteraceae 0.01%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.2%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.4%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 0.4%
Rose (Turkey) 8 8007-01-0 Rosa damascena Miller, fam. Rosaceae 0.03%