4-Hydroxy-beta-cyclocitral

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    35692-94-5

    Molecular formula
    C15H22O2

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

  • Odor profile

    Woody 64.81%
    Floral 63.98%
    Sweet 61.41%
    Fruity 40.91%
    Fresh 39.32%
    Powdery 38.74%
    Citrus 35.52%
    Spicy 35.2%
    Violet 35.13%
    Berry 34.58%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Flash point est.
    160.87 ˚C

  • Synonyms

    • 4-Hydroxy-beta-cyclocitral
    • 535950-02-8
    • (2E,4E)-5-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienal
    • 35692-94-5
    • SCHEMBL17795779

  • Applications

    4‑Hydroxy‑β‑cyclocitral (CAS 35692‑94‑5) is an apocarotenoid derivative with a clean citrus‑floral, green character, applied as a fragrance ingredient in fine fragrances, cosmetics, and home/personal care to boost freshness and tune citrus‑green facets, as a low‑level flavoring to add citrus, tea, and herbal nuances, and as an analytical standard/reference in GC‑MS/LC‑MS for identifying carotenoid‑oxidation products and monitoring algal/cyanobacterial off‑odors in water; it also serves as a synthetic intermediate in aroma‑chemical development and as a research tool/biomarker in plant physiology and food matrices to probe oxidative signaling, root growth, and carotenoid breakdown.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 397.14
    methanol 598.85
    isopropanol 197.69
    water 0.44
    ethyl acetate 161.51
    n-propanol 252.81
    acetone 169.73
    n-butanol 222.81
    acetonitrile 134.1
    DMF 272.59
    toluene 109.95
    isobutanol 127.3
    1,4-dioxane 476.89
    methyl acetate 140.3
    THF 697.4
    2-butanone 140.59
    n-pentanol 129.21
    sec-butanol 122.7
    n-hexane 11.81
    ethylene glycol 26.04
    NMP 158.77
    cyclohexane 20.94
    DMSO 124.4
    n-butyl acetate 125.88
    n-octanol 57.55
    chloroform 254.55
    n-propyl acetate 96.47
    acetic acid 131.75
    dichloromethane 192.18
    cyclohexanone 204.86
    propylene glycol 62.75
    isopropyl acetate 100.54
    DMAc 175.21
    2-ethoxyethanol 169.3
    isopentanol 138.65
    n-heptane 10.95
    ethyl formate 109.7
    1,2-dichloroethane 120.35
    n-hexanol 192.2
    2-methoxyethanol 356.12
    isobutyl acetate 74.41
    tetrachloromethane 27.96
    n-pentyl acetate 67.68
    transcutol 592.0
    n-heptanol 69.13
    ethylbenzene 43.61
    MIBK 93.2
    2-propoxyethanol 301.9
    tert-butanol 204.27
    MTBE 135.01
    2-butoxyethanol 130.89
    propionic acid 88.05
    o-xylene 49.01
    formic acid 72.0
    diethyl ether 192.66
    m-xylene 73.42
    p-xylene 52.44
    chlorobenzene 92.75
    dimethyl carbonate 48.38
    n-octane 4.15
    formamide 90.05
    cyclopentanone 212.32
    2-pentanone 134.13
    anisole 104.35
    cyclopentyl methyl ether 197.24
    gamma-butyrolactone 227.54
    1-methoxy-2-propanol 242.71
    pyridine 219.24
    3-pentanone 87.25
    furfural 190.98
    n-dodecane 3.48
    diethylene glycol 166.24
    diisopropyl ether 44.09
    tert-amyl alcohol 114.76
    acetylacetone 119.99
    n-hexadecane 4.0
    acetophenone 82.96
    methyl propionate 114.91
    isopentyl acetate 114.19
    trichloroethylene 203.89
    n-nonanol 54.37
    cyclohexanol 119.55
    benzyl alcohol 94.26
    2-ethylhexanol 82.71
    isooctanol 51.29
    dipropyl ether 98.1
    1,2-dichlorobenzene 72.52
    ethyl lactate 56.79
    propylene carbonate 122.08
    n-methylformamide 139.47
    2-pentanol 105.9
    n-pentane 12.7
    1-propoxy-2-propanol 193.31
    1-methoxy-2-propyl acetate 154.97
    2-(2-methoxypropoxy) propanol 124.12
    mesitylene 43.91
    ε-caprolactone 176.91
    p-cymene 32.79
    epichlorohydrin 265.66
    1,1,1-trichloroethane 99.59
    2-aminoethanol 98.49
    morpholine-4-carbaldehyde 239.78
    sulfolane 152.85
    2,2,4-trimethylpentane 6.5
    2-methyltetrahydrofuran 307.36
    n-hexyl acetate 99.98
    isooctane 6.71
    2-(2-butoxyethoxy)ethanol 180.5
    sec-butyl acetate 71.19
    tert-butyl acetate 106.93
    decalin 9.41
    glycerin 71.36
    diglyme 286.35
    acrylic acid 63.33
    isopropyl myristate 41.53
    n-butyric acid 163.06
    acetyl acetate 83.52
    di(2-ethylhexyl) phthalate 47.82
    ethyl propionate 83.4
    nitromethane 166.59
    1,2-diethoxyethane 166.87
    benzonitrile 100.72
    trioctyl phosphate 34.01
    1-bromopropane 91.89
    gamma-valerolactone 321.72
    n-decanol 40.13
    triethyl phosphate 47.18
    4-methyl-2-pentanol 63.16
    propionitrile 132.25
    vinylene carbonate 113.8
    1,1,2-trichlorotrifluoroethane 141.59
    DMS 77.65
    cumene 31.45
    2-octanol 40.03
    2-hexanone 92.04
    octyl acetate 52.66
    limonene 45.33
    1,2-dimethoxyethane 277.04
    ethyl orthosilicate 48.83
    tributyl phosphate 41.03
    diacetone alcohol 130.24
    N,N-dimethylaniline 69.69
    acrylonitrile 124.72
    aniline 131.81
    1,3-propanediol 161.17
    bromobenzene 77.89
    dibromomethane 127.02
    1,1,2,2-tetrachloroethane 166.32
    2-methyl-cyclohexyl acetate 81.25
    tetrabutyl urea 51.3
    diisobutyl methanol 44.06
    2-phenylethanol 122.92
    styrene 47.99
    dioctyl adipate 61.3
    dimethyl sulfate 50.02
    ethyl butyrate 90.49
    methyl lactate 58.29
    butyl lactate 66.95
    diethyl carbonate 61.32
    propanediol butyl ether 106.85
    triethyl orthoformate 71.04
    p-tert-butyltoluene 34.27
    methyl 4-tert-butylbenzoate 82.71
    morpholine 536.34
    tert-butylamine 112.56
    n-dodecanol 29.53
    dimethoxymethane 256.5
    ethylene carbonate 101.03
    cyrene 101.82
    2-ethoxyethyl acetate 110.71
    2-ethylhexyl acetate 90.2
    1,2,4-trichlorobenzene 85.01
    4-methylpyridine 193.52
    dibutyl ether 62.99
    2,6-dimethyl-4-heptanol 44.06
    DEF 122.48
    dimethyl isosorbide 191.52
    tetrachloroethylene 97.43
    eugenol 90.57
    triacetin 89.05
    span 80 109.61
    1,4-butanediol 50.48
    1,1-dichloroethane 119.2
    2-methyl-1-pentanol 91.86
    methyl formate 102.55
    2-methyl-1-butanol 117.49
    n-decane 6.64
    butyronitrile 160.78
    3,7-dimethyl-1-octanol 58.0
    1-chlorooctane 32.02
    1-chlorotetradecane 11.94
    n-nonane 5.88
    undecane 4.62
    tert-butylcyclohexane 9.91
    cyclooctane 6.37
    cyclopentanol 114.78
    tetrahydropyran 413.22
    tert-amyl methyl ether 87.49
    2,5,8-trioxanonane 187.12
    1-hexene 53.14
    2-isopropoxyethanol 107.44
    2,2,2-trifluoroethanol 31.05
    methyl butyrate 104.82

    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

Botanical

Name CAS Botanical Proportion
Saffron 1 8022-19-3 Crocus sativus L., fam. Iridaceae 13.8%
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.1%