(E)-alpha-Ionone

  • Identifiers

    CAS mumber
    127-41-3

    Molecular formula
    C13H20O

    SMILES
    CC1=CCCC(C1/C=C/C(=O)C)(C)C

    Retention indicies (RI)

    • DB5: 1431.5
    • Carbowax: 1831.6

  • Properties

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

    Molecular weight
    192.3 g/mol

    Boiling points

    • 258 °C at 760 mm Hg
    • Pale yellow to yellow liquid; Specific gravity: 0.933-0.937 25/25 °C; Boiling point: 126-128 °C at 12 mm Hg /mixed ionone isomers/

    Flash points

    • 118 °C (244 °F) - closed cup

    Solubilities

    • In water, 106 mg/L at 25 °C
    • Soluble in alcohol, most fixed oils, propylene glycol; insoluble in glycerin
    • Miscible with absolute alcohol. Soluble in 2 to 3 parts of 70% alcohol, ether, chloroform, benzene. Very slightly soluble in water. /mixed ionone isomers/
    • soluble in alcohol, propylene glycol, most fixed oils; insoluble in glycerol and water
    • 1 ml in 3 ml 70% alcohol; 1 ml in 10 ml 60% alcohol (in ethanol)

  • Synonyms

    • ALPHA-IONONE
    • 127-41-3
    • (E)-alpha-Ionone
    • Iraldeine
    • a-ionone
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
    • (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • alpha-Ionon
    • Ionone, alpha-
    • trans-alpha-Ionone
    • alpha-(E)-ionone
    • Irisone
    • alpha-Ionone (natural)
    • FEMA No. 2594
    • alpha-Cyclocitrylideneacetone
    • Cyclocitrylideneacetone, alpha-
    • (+-)-trans-alpha-Ionone
    • (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • EINECS 204-841-6
    • EINECS 250-293-6
    • UNII-I9V075M61R
    • 6901-97-9
    • DTXSID0035160
    • CHEBI:32319
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
    • I9V075M61R
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • a-Ionone (>90%)
    • EINECS 230-010-2
    • MFCD00001565
    • NSC 34560
    • (5E)-IONONE
    • .alpha.-Cyclocitrylideneacetone
    • AI3-16056
    • DTXCID8015160
    • HSDB 8268
    • (E)-(1)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • NSC34560
    • 31798-12-6
    • beta-lonone
    • (E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
    • beta-lonone (natural)
    • alpha-Jonone
    • alpha -ionone
    • EINECS 232-396-8
    • EINECS 238-362-9
    • EINECS 250-812-6
    • IONONE, ALPHA
    • alpha-Ionone, >=90%
    • UNII-QP734LIN1K
    • (+/-)-alpha-IONONE
    • ALPHA-IONONE [FCC]
    • QP734LIN1K
    • (E)-.ALPHA.-IONONE
    • alpha-Ionone (>90per cent)
    • SCHEMBL112670
    • .ALPHA.-IONONE [MI]
    • CHEMBL472877
    • .ALPHA.-IONONE [FHFI]
    • alpha-Ionone, natural, >=86%
    • alpha-Ionone, analytical standard
    • (+/-)-.ALPHA.-IONONE
    • (-)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • HY-N8847
    • Tox21_301173
    • alpha-Ionone, technical grade, 90%
    • NSC-34560
    • STL570068
    • AKOS000120391
    • AKOS016843502
    • (+/-)-TRANS-.ALPHA.-IONONE
    • DS-3418
    • FI24634
    • alpha-Ionone, technical, >=90% (GC)
    • NCGC00164008-01
    • NCGC00164008-02
    • NCGC00255071-01
    • CAS-127-41-3
    • CS-0149165
    • I0076
    • NS00012649
    • EN300-20383
    • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one
    • Q27114869
    • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-(.+/-.)-
    • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)3-buten-2-one;(5E)-Ionone;(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • 204-841-6
1 3

Botanical

Name CAS Botanical Proportion
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.34%
Celery seed (China) 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.05%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.15%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 1.6%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.6%
Osmanthus concrete 1 (China) 68917-05-5 Osmanthus fragrans, variety Thunbergii (Mak.), fam. Oleaceae 2.2%
Osmanthus concrete 2 (China) 68917-05-5 Osmanthus fragrans, variety Latifolius Mak., fam. Oleaceae 6.5%
Osmanthus concrete 3 (China) 68917-05-5 Osmanthus fragrans, variety Aurantiacus (Mak.), fam. Oleaceae 1.3%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.22%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.86%
Rose (Egypt) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 1.0%
Celery seed (India) 3 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.05%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 3.01%
Osmanthus headspace (flowers) (China) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. thunbergii Makino, fam. Oleaceae 2.5%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 2.3%
Vassoura (Brazil) 2 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.01%
Michelia champaca flower headspace (China) Michelia champaca L., fam. Magnoliaceae 0.2%
Costus 8023-88-9 Saussurea lappa Clarke, fam. Zingiberaceae 5.0%
Passion fruit (China) 1 Passiflora edulis Sims, fam. Passifloraceae 1.33%
Violet odorata flower headspace Viola odorata L., fam. Violaceae 3.3%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 0.1%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Basil (Denmark) Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Thyme (Denmark) 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.05%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.01%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.42%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.13%
Tulip sylvestre (headspace) Tulipa sylvestris L., fam. Liliaceae 0.13%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.1%
Abies alba needle (Serbia) 8021-27-0 Abies alba Mill., fam. Pinaceae 0.4%
Abies cephalonica needle (Greece) Abies cephalonica Loud., fam. Pinaceae 0.1%
Abies borisii-regis needle (Greece) Abies borisii-regis Mattf., fam. Pinaceae 0.2%
Acacia caven flower Acacia caven (Mol.) Mol., fam. Mimosaceae (Leguminosae) 0.9%
Afrocarpus mannii 1a leaf Afrocarpus mannii Hook f., fam. Podocarpaceae 0.7%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 0.7%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 4.2%