beta-Ionyl acetate, (E)-

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  • Identifiers

    CAS number
    53319-91-8

    Molecular formula
    C15H24O2

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

  • Odor profile

    Fragrance
    Floral 81.03%
    Woody 79.4%
    Fruity 76.91%
    Berry 65.83%
    Sweet 63.6%
    Violet 55.74%
    Powdery 51.48%
    Raspberry 49.45%
    Tropical 43.39%
    Orris 42.34%

     

    Flavor
    Woody 75.09%
    Floral 67.94%
    Sweet 63.67%
    Tropical 48.06%
    Violet 43.77%
    Herbal 41.2%
    Fruity 37.97%
    Raspberry 35.42%
    Orris 34.86%
    Lavender 34.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.47 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 120.00 °C. @ 2.00 mm Hg

    Flash point

    • 126.61 ˚C est.

    Solubility expt.

    • Soluble in fats; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • beta-Ionyl acetate
    • 53319-91-8
    • FEMA no. 3844
    • Ionyl acetate, beta-
    • (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-ol Acetate
    • 7416U6WD2T
    • beta-Ionyl acetate, (E)-
    • [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate
    • (+/-)-beta-ionyl acetate, (E)-
    • beta-Ionyl acetate, (E)-(+/-)-
    • UNII-7416U6WD2T
    • IONYL ACETATE, .BETA.-
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2-acetate, (3E)-
    • .BETA.-IONYL ACETATE, (E)-
    • .BETA.-LONYL ACETATE, (E)-
    • (+/-)-.BETA.-LONYL ACETATE, (E)-
    • .BETA.-LONYL ACETATE, (E)-(+/-)-
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (E)-
    • EINECS 244-736-2
    • .beta.-Ionyl acetate
    • b-Ionyl acetate
    • .beta. Ionyl acetate
    • (E)-beta-ionyl acetate
    • SCHEMBL3503720
    • (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate
    • FEMA 3844
    • CHEBI:169755
    • BETA-LONYL ACETATE, (E)-
    • .BETA.-LONYL ACETATE [FHFI]
    • (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-ol 2-Acetate
    • (+/-)-BETA-LONYL ACETATE, (E)-
    • BETA-LONYL ACETATE, (E)-(+/-)-
    • DB-257912
    • Q27266220
    • 3-Buten-2-ol 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)acetate

  • Applications

    beta-Ionyl acetate, (E)-, CAS 53319-91-8 is primarily used as a fragrance ingredient and a synthesis intermediate in ionone-related fragrance chemistry; in perfumery it contributes violet-like notes, and in cosmetics/personal care it serves as a scent component; in household products such as cleaners and air fresheners it can function as an odorant/fragrance additive; it may be evaluated as a flavor/aroma precursor or note in certain applications; it also serves as an industrial intermediate for the development of fragrance materials and can be used in coatings/inks or adhesive formulations as a fragrance additive; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 669.91
    methanol 758.17
    isopropanol 519.73
    water 0.41
    ethyl acetate 687.64
    n-propanol 546.85
    acetone 630.86
    n-butanol 509.61
    acetonitrile 450.06
    DMF 1032.2
    toluene 506.9
    isobutanol 392.54
    1,4-dioxane 1254.19
    methyl acetate 523.88
    THF 1735.33
    2-butanone 519.92
    n-pentanol 296.31
    sec-butanol 399.67
    n-hexane 73.84
    ethylene glycol 69.85
    NMP 873.07
    cyclohexane 128.47
    DMSO 448.6
    n-butyl acetate 500.14
    n-octanol 186.06
    chloroform 1399.91
    n-propyl acetate 287.5
    acetic acid 334.65
    dichloromethane 1161.04
    cyclohexanone 817.31
    propylene glycol 160.76
    isopropyl acetate 466.17
    DMAc 803.06
    2-ethoxyethanol 347.08
    isopentanol 437.73
    n-heptane 38.34
    ethyl formate 280.01
    1,2-dichloroethane 661.07
    n-hexanol 515.44
    2-methoxyethanol 692.38
    isobutyl acetate 235.76
    tetrachloromethane 166.75
    n-pentyl acetate 275.48
    transcutol 1986.81
    n-heptanol 173.35
    ethylbenzene 192.23
    MIBK 354.07
    2-propoxyethanol 758.56
    tert-butanol 678.37
    MTBE 739.17
    2-butoxyethanol 309.41
    propionic acid 296.41
    o-xylene 239.39
    formic acid 117.24
    diethyl ether 749.89
    m-xylene 358.88
    p-xylene 223.1
    chlorobenzene 471.36
    dimethyl carbonate 234.77
    n-octane 16.21
    formamide 168.49
    cyclopentanone 873.67
    2-pentanone 503.28
    anisole 407.64
    cyclopentyl methyl ether 856.61
    gamma-butyrolactone 927.44
    1-methoxy-2-propanol 639.34
    pyridine 649.47
    3-pentanone 383.35
    furfural 621.54
    n-dodecane 14.16
    diethylene glycol 445.44
    diisopropyl ether 228.42
    tert-amyl alcohol 465.7
    acetylacetone 546.07
    n-hexadecane 16.94
    acetophenone 307.17
    methyl propionate 506.56
    isopentyl acetate 462.95
    trichloroethylene 1167.72
    n-nonanol 167.2
    cyclohexanol 490.71
    benzyl alcohol 276.9
    2-ethylhexanol 253.19
    isooctanol 143.05
    dipropyl ether 301.3
    1,2-dichlorobenzene 388.31
    ethyl lactate 149.51
    propylene carbonate 489.05
    n-methylformamide 356.68
    2-pentanol 334.02
    n-pentane 67.99
    1-propoxy-2-propanol 491.62
    1-methoxy-2-propyl acetate 604.51
    2-(2-methoxypropoxy) propanol 379.99
    mesitylene 194.03
    ε-caprolactone 707.23
    p-cymene 120.62
    epichlorohydrin 1125.84
    1,1,1-trichloroethane 700.42
    2-aminoethanol 207.8
    morpholine-4-carbaldehyde 958.81
    sulfolane 811.92
    2,2,4-trimethylpentane 40.21
    2-methyltetrahydrofuran 1226.69
    n-hexyl acetate 431.84
    isooctane 32.95
    2-(2-butoxyethoxy)ethanol 509.81
    sec-butyl acetate 254.44
    tert-butyl acetate 527.98
    decalin 58.11
    glycerin 188.13
    diglyme 826.1
    acrylic acid 208.2
    isopropyl myristate 160.7
    n-butyric acid 457.59
    acetyl acetate 395.11
    di(2-ethylhexyl) phthalate 159.36
    ethyl propionate 292.0
    nitromethane 521.69
    1,2-diethoxyethane 585.91
    benzonitrile 372.13
    trioctyl phosphate 112.31
    1-bromopropane 500.3
    gamma-valerolactone 1083.03
    n-decanol 121.02
    triethyl phosphate 141.73
    4-methyl-2-pentanol 214.62
    propionitrile 416.61
    vinylene carbonate 433.79
    1,1,2-trichlorotrifluoroethane 546.1
    DMS 371.5
    cumene 133.57
    2-octanol 122.36
    2-hexanone 293.89
    octyl acetate 205.76
    limonene 188.53
    1,2-dimethoxyethane 629.14
    ethyl orthosilicate 150.85
    tributyl phosphate 152.09
    diacetone alcohol 491.5
    N,N-dimethylaniline 264.91
    acrylonitrile 388.64
    aniline 480.26
    1,3-propanediol 315.31
    bromobenzene 525.61
    dibromomethane 739.97
    1,1,2,2-tetrachloroethane 976.34
    2-methyl-cyclohexyl acetate 271.38
    tetrabutyl urea 182.91
    diisobutyl methanol 122.79
    2-phenylethanol 369.96
    styrene 235.87
    dioctyl adipate 218.41
    dimethyl sulfate 303.52
    ethyl butyrate 291.98
    methyl lactate 224.74
    butyl lactate 208.33
    diethyl carbonate 193.21
    propanediol butyl ether 309.53
    triethyl orthoformate 219.67
    p-tert-butyltoluene 124.0
    methyl 4-tert-butylbenzoate 300.35
    morpholine 1500.1
    tert-butylamine 441.59
    n-dodecanol 88.6
    dimethoxymethane 862.54
    ethylene carbonate 387.71
    cyrene 295.17
    2-ethoxyethyl acetate 425.3
    2-ethylhexyl acetate 374.9
    1,2,4-trichlorobenzene 454.4
    4-methylpyridine 820.72
    dibutyl ether 254.54
    2,6-dimethyl-4-heptanol 122.79
    DEF 559.1
    dimethyl isosorbide 630.8
    tetrachloroethylene 537.32
    eugenol 268.52
    triacetin 378.9
    span 80 323.17
    1,4-butanediol 106.76
    1,1-dichloroethane 752.3
    2-methyl-1-pentanol 286.78
    methyl formate 264.76
    2-methyl-1-butanol 402.51
    n-decane 25.91
    butyronitrile 466.94
    3,7-dimethyl-1-octanol 202.55
    1-chlorooctane 135.92
    1-chlorotetradecane 52.01
    n-nonane 24.89
    undecane 18.65
    tert-butylcyclohexane 57.78
    cyclooctane 40.15
    cyclopentanol 433.78
    tetrahydropyran 1263.05
    tert-amyl methyl ether 450.72
    2,5,8-trioxanonane 563.07
    1-hexene 237.28
    2-isopropoxyethanol 274.75
    2,2,2-trifluoroethanol 111.0
    methyl butyrate 335.73

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction