Vomifoliol, (+)-

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  • Identifiers

    CAS number
    23526-45-6

    Molecular formula
    C13H20O3

    SMILES
    CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O)O)(C)C

  • Odor profile

    Woody 68.69%
    Fruity 67.84%
    Floral 64.0%
    Sweet 45.06%
    Berry 43.45%
    Raspberry 34.63%
    Tobacco 32.7%
    Dry 28.39%
    Mint 27.38%
    Tea 27.02%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point est.
    164.71 ˚C

  • Synonyms

    • Vomifoliol
    • 23526-45-6
    • (6S,9R)-vomifoliol
    • BLUMENOL A
    • (6S,9R)-6-hydroxy-3-oxo-alpha-ionol
    • Roseoside aglycon
    • (+)-Vomifoliol
    • (+/-)-Volifoliol
    • Vomifoliol, (+)-
    • (+/-)-Blumenol-A
    • CHEBI:49164
    • (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
    • P86438KC5J
    • B7QV234K84
    • DTXSID601009964
    • (6S,7E,9R)-6,9-dihydroxy-4,7-megastigmadien-3-one
    • 50763-73-0
    • FEMA no. 4661, (4S,3R)-(E)-(+/-)-
    • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
    • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-, (4S)-
    • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (4S)-
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,S*-(E))-
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (S-(R*,S*-(E)))-
    • 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4S,3R)-(E)-(+/-)-
    • (6S,9R)-6-HYDROXY-3-OXO-.ALPHA.-IONOL
    • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-, (4S)-rel-
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,S*-(E))-(+/-)-
    • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
    • 2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-, (+)-
    • (+-)-Vomifoliol
    • (+-)-Blumenol A
    • Vomifoliol, (+-)-
    • CHEBI:28258
    • UNII-B7QV234K84
    • UNII-P86438KC5J
    • (4S)-4-hydroxy-4-((1E,3R)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
    • (4S)-4-hydroxy-4-((1E,3R)-3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
    • (4S)-4-hydroxy-4-((E,3R)-3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
    • (+)-BLUMENOL A
    • CHEMBL463088
    • SCHEMBL1243896
    • DTXCID101436388
    • HY-N1077
    • (+-)-6-hydroxy-3-oxo-alpha-ionol
    • BDBM50463336
    • NSC805019
    • AKOS032948398
    • FS-9636
    • NSC-805019
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (+-)-
    • DA-59041
    • FV177947
    • CS-0016364
    • NS00122932
    • C01760
    • G14079
    • Q22911785
    • (S)-4-Hydroxy-4-((R,E)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 200.36
    methanol 393.68
    isopropanol 134.47
    water 5.85
    ethyl acetate 64.46
    n-propanol 122.12
    acetone 130.51
    n-butanol 103.05
    acetonitrile 83.72
    DMF 388.45
    toluene 46.82
    isobutanol 75.65
    1,4-dioxane 288.37
    methyl acetate 71.39
    THF 413.44
    2-butanone 80.9
    n-pentanol 75.05
    sec-butanol 77.11
    n-hexane 3.05
    ethylene glycol 63.29
    NMP 219.6
    cyclohexane 5.26
    DMSO 230.09
    n-butyl acetate 46.8
    n-octanol 48.88
    chloroform 117.52
    n-propyl acetate 43.03
    acetic acid 103.02
    dichloromethane 121.33
    cyclohexanone 125.41
    propylene glycol 76.43
    isopropyl acetate 45.03
    DMAc 222.14
    2-ethoxyethanol 139.03
    isopentanol 73.67
    n-heptane 3.93
    ethyl formate 72.02
    1,2-dichloroethane 59.8
    n-hexanol 89.03
    2-methoxyethanol 275.93
    isobutyl acetate 35.31
    tetrachloromethane 15.33
    n-pentyl acetate 39.41
    transcutol 161.09
    n-heptanol 52.73
    ethylbenzene 29.64
    MIBK 54.55
    2-propoxyethanol 182.43
    tert-butanol 154.17
    MTBE 57.94
    2-butoxyethanol 88.01
    propionic acid 61.95
    o-xylene 34.38
    formic acid 116.68
    diethyl ether 58.35
    m-xylene 42.04
    p-xylene 39.31
    chlorobenzene 45.64
    dimethyl carbonate 46.96
    n-octane 2.82
    formamide 149.92
    cyclopentanone 179.16
    2-pentanone 71.45
    anisole 78.95
    cyclopentyl methyl ether 99.34
    gamma-butyrolactone 189.32
    1-methoxy-2-propanol 187.44
    pyridine 117.16
    3-pentanone 45.96
    furfural 161.77
    n-dodecane 2.81
    diethylene glycol 169.52
    diisopropyl ether 17.65
    tert-amyl alcohol 81.93
    acetylacetone 99.61
    n-hexadecane 3.15
    acetophenone 68.99
    methyl propionate 63.72
    isopentyl acetate 47.38
    trichloroethylene 109.32
    n-nonanol 44.19
    cyclohexanol 67.52
    benzyl alcohol 76.13
    2-ethylhexanol 41.28
    isooctanol 39.4
    dipropyl ether 39.17
    1,2-dichlorobenzene 43.06
    ethyl lactate 42.74
    propylene carbonate 95.72
    n-methylformamide 165.36
    2-pentanol 52.16
    n-pentane 2.98
    1-propoxy-2-propanol 102.31
    1-methoxy-2-propyl acetate 70.73
    2-(2-methoxypropoxy) propanol 71.86
    mesitylene 24.75
    ε-caprolactone 106.47
    p-cymene 21.08
    epichlorohydrin 179.2
    1,1,1-trichloroethane 42.48
    2-aminoethanol 117.84
    morpholine-4-carbaldehyde 251.89
    sulfolane 195.32
    2,2,4-trimethylpentane 3.13
    2-methyltetrahydrofuran 152.26
    n-hexyl acetate 59.11
    isooctane 3.06
    2-(2-butoxyethoxy)ethanol 93.39
    sec-butyl acetate 33.74
    tert-butyl acetate 56.53
    decalin 5.34
    glycerin 112.63
    diglyme 145.97
    acrylic acid 60.45
    isopropyl myristate 26.45
    n-butyric acid 78.52
    acetyl acetate 50.85
    di(2-ethylhexyl) phthalate 33.85
    ethyl propionate 42.79
    nitromethane 151.29
    1,2-diethoxyethane 60.52
    benzonitrile 71.02
    trioctyl phosphate 26.93
    1-bromopropane 33.41
    gamma-valerolactone 236.87
    n-decanol 33.79
    triethyl phosphate 29.36
    4-methyl-2-pentanol 37.23
    propionitrile 62.76
    vinylene carbonate 96.14
    1,1,2-trichlorotrifluoroethane 110.55
    DMS 46.2
    cumene 23.72
    2-octanol 34.79
    2-hexanone 54.01
    octyl acetate 37.13
    limonene 27.43
    1,2-dimethoxyethane 217.21
    ethyl orthosilicate 29.45
    tributyl phosphate 25.76
    diacetone alcohol 89.17
    N,N-dimethylaniline 63.38
    acrylonitrile 77.17
    aniline 67.15
    1,3-propanediol 145.29
    bromobenzene 39.42
    dibromomethane 65.74
    1,1,2,2-tetrachloroethane 86.76
    2-methyl-cyclohexyl acetate 47.41
    tetrabutyl urea 39.97
    diisobutyl methanol 28.08
    2-phenylethanol 78.16
    styrene 31.79
    dioctyl adipate 38.3
    dimethyl sulfate 73.32
    ethyl butyrate 40.7
    methyl lactate 59.24
    butyl lactate 42.34
    diethyl carbonate 29.69
    propanediol butyl ether 81.58
    triethyl orthoformate 34.68
    p-tert-butyltoluene 21.76
    methyl 4-tert-butylbenzoate 62.97
    morpholine 283.22
    tert-butylamine 70.62
    n-dodecanol 25.28
    dimethoxymethane 223.11
    ethylene carbonate 74.82
    cyrene 100.95
    2-ethoxyethyl acetate 51.15
    2-ethylhexyl acetate 35.88
    1,2,4-trichlorobenzene 52.16
    4-methylpyridine 113.5
    dibutyl ether 30.4
    2,6-dimethyl-4-heptanol 28.08
    DEF 83.65
    dimethyl isosorbide 141.31
    tetrachloroethylene 53.42
    eugenol 72.37
    triacetin 52.4
    span 80 65.31
    1,4-butanediol 63.23
    1,1-dichloroethane 52.26
    2-methyl-1-pentanol 56.29
    methyl formate 137.56
    2-methyl-1-butanol 61.78
    n-decane 4.77
    butyronitrile 73.47
    3,7-dimethyl-1-octanol 38.94
    1-chlorooctane 21.2
    1-chlorotetradecane 8.5
    n-nonane 4.12
    undecane 3.58
    tert-butylcyclohexane 5.37
    cyclooctane 2.49
    cyclopentanol 96.2
    tetrahydropyran 147.14
    tert-amyl methyl ether 43.27
    2,5,8-trioxanonane 116.27
    1-hexene 15.56
    2-isopropoxyethanol 85.49
    2,2,2-trifluoroethanol 42.36
    methyl butyrate 58.34

    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