(E)-beta-Ionone

  • Identifiers

    CAS mumber
    79-77-6

    Molecular formula
    C13H20O

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=O)C

    Retention indicies (RI)

    • DB5: 1493.14
    • Carbowax: 1933.86

  • Properties

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

    Molecular weight
    192.3 g/mol

    Melting points

    • -35 °C

    Boiling points

    • 284 °F at 18 mmHg (NTP, 1992)
    • 271 °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/
    • 266.00 to 269.00 °C. @ 760.00 mm Hg

    Flash points

    • greater than 235 °F (NTP, 1992)
    • > 113 °C (> 235 °F) - closed cup

    Solubilities

    • Slightly soluble (NTP, 1992)
    • In water, 169 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 (in ethanol)

  • Synonyms

    • BETA-IONONE
    • 79-77-6
    • 14901-07-6
    • (E)-beta-Ionone
    • trans-beta-Ionone
    • 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
    • b-ionone
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
    • (E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
    • (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
    • beta-E-Ionone
    • .beta.-Ionone
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • beta-Cyclocitrylideneacetone
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
    • (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
    • FEMA No. 2595
    • CCRIS 6249
    • NSC 402758
    • beta-Ionon
    • UNII-A7NRR1HLH6
    • A7NRR1HLH6
    • EINECS 238-969-9
    • MFCD00001549
    • Ionone, .beta.-
    • CCRIS 4289
    • beta-Ionone (trans)
    • trans-.beta.-Ionone
    • DTXSID4021769
    • CHEBI:32325
    • (E)-|A-Ionone
    • IONONE, BETA
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • EINECS 201-224-3
    • EINECS 288-959-3
    • (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • NSC-46137
    • 9-apo-beta-caroten-9-one
    • NSC-402758
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
    • BRN 1909544
    • .beta.-Cyclocitrylideneacetone
    • AI3-25073
    • DTXCID901769
    • 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
    • HSDB 8269
    • .beta.-Ionene
    • EC 201-224-3
    • EC 238-969-9
    • 2-07-00-00140 (Beilstein Handbook Reference)
    • NSC46137
    • 85949-43-5
    • 4-(2,6,6-Trimethyl-1(or 2)-cyclohexen-1-yl)-3-buten-2-one
    • trans-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • ss-Ionone
    • CAS-79-77-6
    • WLN: L6UTJ A1U1V1 B1 F1 F1
    • beta-Ionone, synthetic
    • (E)-.beta.-Ionone
    • 4-(2,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
    • 3-Buten-2-one,6,6-trimethyl-1-cyclohexen-1-yl)-
    • 4-(2,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • 4-(2,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one
    • DTXSID9025451
    • [E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one
    • beta ionone
    • beta -ionone
    • beta -E-ionone
    • Ionone, beta-
    • |A-Jonone
    • Trans-beta -ionone
    • (E)-beta -ionone
    • beta-Ionone, 96%
    • |A-Ionone (Standard)
    • BETA-IONONE [FCC]
    • (3E)-BETA-IONONE
    • .beta.-Ionone isomer # 1
    • .beta.-Ionone isomer # 2
    • SCHEMBL23953
    • .BETA.-IONONE [MI]
    • .BETA.-IONONE [FHFI]
    • US9144538, beta-Ionone
    • CHEMBL559945
    • beta-Ionone, analytical standard
    • DTXCID3027952
    • US9138393, ?-Ionone
    • FEMA 2595
    • BETA-CYCLOCITRYLIDENACETONE
    • BDBM181139
    • AAA07977
    • HY-W015084A
    • HY-W015084R
    • Tox21_201454
    • Tox21_300709
    • Tox21_302862
    • BBL009828
    • NSC402758
    • STK801279
    • beta-Ionone, natural, >=85%, FG
    • AKOS000121023
    • CS-W015800
    • HY-W015084
    • beta-Ionone, purum, >=95.0% (GC)
    • NCGC00248145-01
    • NCGC00248145-02
    • NCGC00256534-01
    • NCGC00257517-01
    • NCGC00259005-01
    • AS-68699
    • VS-02204
    • beta-Ionone, natural (US), >=85%, FG
    • CAS-14901-07-6
    • CS-0149266
    • NS00001727
    • EN300-18432
    • D70747
    • EN300-755077
    • F81525
    • beta-Ionone, predominantly trans, >=97%, FCC, FG
    • Q27114873
    • 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one
    • F0451-1336
    • (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-but-3-en-2-one
    • (E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one
    • 4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-buten-2-one
    • (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-(E)-3-Buten-2-one
    • (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl) but-3-en-2-one
1 3

Botanical

Name CAS Botanical Proportion
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.5%
Tea leaf Camellia sinensis Kuntze, fam. Theaceae 0.1%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.67%
Dragonhead Dracocephalum moldavica L., fam. Lamiaceae (Labiatae) 0.1%
Freesia, Living Flower Headspace Freesia refracta L. 3.0%
Freesia, Picked Flower Headspace Freesia refracta L. 0.05%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 3.4%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 7.6%
Peppermint (USA) 2 8006-90-4 Mentha piperita L. cultivar Mitcham, fam. Lamiaceae (Labiatae) 0.03%
Spikenard 2 8022-22-8 Nardostachys jatamansi (Roxb.) DC., fam. Valerianaceae 1.4%
Fingered Citron Citrus medica L., cultivar sarcodactylis (Noot.) Swingle, fam. Rutaceae 0.03%
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.02%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.02%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.02%
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.2%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Osmanthus concrete 1 (China) 68917-05-5 Osmanthus fragrans, variety Thunbergii (Mak.), fam. Oleaceae 18.5%
Osmanthus concrete 2 (China) 68917-05-5 Osmanthus fragrans, variety Latifolius Mak., fam. Oleaceae 8.6%
Osmanthus concrete 3 (China) 68917-05-5 Osmanthus fragrans, variety Aurantiacus (Mak.), fam. Oleaceae 9.2%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 1.23%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 5.25%
Osmanthus headspace (living flowers) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 13.2%
Osmanthus headspace (picked flowers) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 5.74%
Osmanthus headspace (picked flowers) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 4.0%
Rose (Turkey) 3 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Kazanlik) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.15%
Clary sage leaf 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Jasmine (Egypt) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.56%
Erigeron canadensis Erigeron canadensis L. (Conyza canadensis (L.) Cronquist), fam. Asteraceae 0.1%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 17.09%
Osmanthus headspace (flowers) (China) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. thunbergii Makino, fam. Oleaceae 19.4%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 10.5%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 17.18%
Passion fruit (China) 1 Passiflora edulis Sims, fam. Passifloraceae 3.1%
Lily-of-the-valley flower headspace Convallaria majalis L., fam. Liliaceae (Convallariaceae) 0.01%
Violet odorata flower headspace Viola odorata L., fam. Violaceae 8.24%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.16%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.09%
Viburnum orientale leaf Viburnum orientale Pallas, fam. Caprifoliaceae 0.05%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 48.6%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 2.5%
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 0.05%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.07%
Citron (Vietnam) peel 1a Citrus medica L., cultivar sarcodactylis (Noot.) Swingle, fam. Rutaceae 0.01%
Citron (Vietnam) peel 1b Citrus medica L., cultivar sarcodactylis (Noot.) Swingle, fam. Rutaceae 0.01%
Basil (Denmark) Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.12%