3-(3-Hydroxybut-1-en-1-yl)-2,4,4-trimethylcyclohex-2-en-1-ol

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  • Identifiers

    CAS number
    27185-80-4

    Molecular formula
    C13H22O2

    SMILES
    CC1=C(C(CCC1O)(C)C)C=CC(C)O

  • Odor profile

    Woody 67.09%
    Floral 48.09%
    Sweet 46.71%
    Fruity 37.8%
    Berry 37.73%
    Powdery 37.62%
    Dry 32.93%
    Amber 28.19%
    Violet 28.17%
    Balsamic 27.62%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point est.
    146.55 ˚C

  • Synonyms

    • 27185-80-4
    • 3-(3-Hydroxybut-1-en-1-yl)-2,4,4-trimethylcyclohex-2-en-1-ol
    • DTXSID00738098

  • Applications

    3-(3-Hydroxybut-1-en-1-yl)-2,4,4-trimethylcyclohex-2-en-1-ol (CAS 27185-80-4) is a dihydroxy terpenoid used in fragrance and personal/home care as a perfumery ingredient providing clean, green-woody, slightly citrus–herbal nuances that lift and naturalize citrus, floral and pine accords in fine fragrances, soaps, detergents, fabric softeners, deodorizers, air care and candles; it also serves as a versatile intermediate for making longer-lasting esters/ethers/carbonates and other terpenic derivatives to tune evaporation profile, fixation and system compatibility, and as a reference/standard in quality control and a model compound in studies of structure–odor relationships, oxidative/isomerization pathways and fragrance stability in consumer matrices; in some contexts it is evaluated as a trace-level aroma/flavor modulator subject to regulations and as a co-solvent/solubilization aid to adjust viscosity and compatibility in aroma blends.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 269.89
    methanol 325.92
    isopropanol 187.53
    water 0.95
    ethyl acetate 115.55
    n-propanol 220.56
    acetone 144.22
    n-butanol 203.24
    acetonitrile 107.43
    DMF 221.3
    toluene 79.48
    isobutanol 130.31
    1,4-dioxane 351.96
    methyl acetate 120.11
    THF 550.33
    2-butanone 139.08
    n-pentanol 95.66
    sec-butanol 125.4
    n-hexane 7.56
    ethylene glycol 39.2
    NMP 163.82
    cyclohexane 17.59
    DMSO 170.91
    n-butyl acetate 113.69
    n-octanol 71.72
    chloroform 226.89
    n-propyl acetate 70.3
    acetic acid 85.03
    dichloromethane 168.68
    cyclohexanone 177.13
    propylene glycol 72.24
    isopropyl acetate 73.84
    DMAc 171.1
    2-ethoxyethanol 128.32
    isopentanol 139.94
    n-heptane 9.45
    ethyl formate 81.58
    1,2-dichloroethane 98.09
    n-hexanol 171.27
    2-methoxyethanol 270.92
    isobutyl acetate 57.41
    tetrachloromethane 39.1
    n-pentyl acetate 68.47
    transcutol 380.35
    n-heptanol 84.7
    ethylbenzene 40.36
    MIBK 77.26
    2-propoxyethanol 216.71
    tert-butanol 211.23
    MTBE 127.85
    2-butoxyethanol 125.66
    propionic acid 83.71
    o-xylene 52.29
    formic acid 46.95
    diethyl ether 141.32
    m-xylene 63.64
    p-xylene 49.29
    chlorobenzene 77.25
    dimethyl carbonate 44.81
    n-octane 4.5
    formamide 66.09
    cyclopentanone 247.5
    2-pentanone 116.43
    anisole 90.18
    cyclopentyl methyl ether 157.31
    gamma-butyrolactone 233.19
    1-methoxy-2-propanol 211.78
    pyridine 154.92
    3-pentanone 81.47
    furfural 170.23
    n-dodecane 3.67
    diethylene glycol 150.29
    diisopropyl ether 36.43
    tert-amyl alcohol 132.8
    acetylacetone 104.39
    n-hexadecane 4.23
    acetophenone 77.1
    methyl propionate 98.22
    isopentyl acetate 103.58
    trichloroethylene 180.97
    n-nonanol 61.7
    cyclohexanol 109.54
    benzyl alcohol 76.71
    2-ethylhexanol 84.21
    isooctanol 60.4
    dipropyl ether 80.51
    1,2-dichlorobenzene 68.63
    ethyl lactate 46.18
    propylene carbonate 117.86
    n-methylformamide 108.68
    2-pentanol 97.44
    n-pentane 9.89
    1-propoxy-2-propanol 150.62
    1-methoxy-2-propyl acetate 118.59
    2-(2-methoxypropoxy) propanol 105.59
    mesitylene 38.97
    ε-caprolactone 150.88
    p-cymene 35.88
    epichlorohydrin 226.74
    1,1,1-trichloroethane 93.43
    2-aminoethanol 97.83
    morpholine-4-carbaldehyde 216.22
    sulfolane 198.29
    2,2,4-trimethylpentane 7.85
    2-methyltetrahydrofuran 262.83
    n-hexyl acetate 96.97
    isooctane 7.24
    2-(2-butoxyethoxy)ethanol 147.09
    sec-butyl acetate 53.32
    tert-butyl acetate 89.0
    decalin 9.41
    glycerin 90.16
    diglyme 224.42
    acrylic acid 65.27
    isopropyl myristate 38.18
    n-butyric acid 126.36
    acetyl acetate 63.82
    di(2-ethylhexyl) phthalate 47.88
    ethyl propionate 61.04
    nitromethane 123.92
    1,2-diethoxyethane 117.36
    benzonitrile 83.27
    trioctyl phosphate 37.75
    1-bromopropane 80.49
    gamma-valerolactone 261.79
    n-decanol 44.92
    triethyl phosphate 43.12
    4-methyl-2-pentanol 63.19
    propionitrile 120.48
    vinylene carbonate 107.83
    1,1,2-trichlorotrifluoroethane 135.54
    DMS 68.66
    cumene 32.22
    2-octanol 49.05
    2-hexanone 75.54
    octyl acetate 50.06
    limonene 48.49
    1,2-dimethoxyethane 207.35
    ethyl orthosilicate 44.59
    tributyl phosphate 39.46
    diacetone alcohol 116.7
    N,N-dimethylaniline 64.12
    acrylonitrile 105.58
    aniline 101.53
    1,3-propanediol 144.14
    bromobenzene 72.07
    dibromomethane 117.93
    1,1,2,2-tetrachloroethane 156.26
    2-methyl-cyclohexyl acetate 75.15
    tetrabutyl urea 49.4
    diisobutyl methanol 47.83
    2-phenylethanol 100.51
    styrene 44.4
    dioctyl adipate 54.16
    dimethyl sulfate 62.03
    ethyl butyrate 74.02
    methyl lactate 60.48
    butyl lactate 66.64
    diethyl carbonate 48.6
    propanediol butyl ether 115.11
    triethyl orthoformate 59.29
    p-tert-butyltoluene 36.86
    methyl 4-tert-butylbenzoate 83.02
    morpholine 372.49
    tert-butylamine 129.15
    n-dodecanol 33.09
    dimethoxymethane 177.11
    ethylene carbonate 94.21
    cyrene 101.24
    2-ethoxyethyl acetate 93.47
    2-ethylhexyl acetate 82.47
    1,2,4-trichlorobenzene 83.26
    4-methylpyridine 148.79
    dibutyl ether 50.91
    2,6-dimethyl-4-heptanol 47.83
    DEF 105.74
    dimethyl isosorbide 160.93
    tetrachloroethylene 103.31
    eugenol 83.78
    triacetin 80.95
    span 80 96.11
    1,4-butanediol 45.58
    1,1-dichloroethane 103.69
    2-methyl-1-pentanol 78.73
    methyl formate 82.21
    2-methyl-1-butanol 117.52
    n-decane 6.97
    butyronitrile 137.25
    3,7-dimethyl-1-octanol 62.79
    1-chlorooctane 32.81
    1-chlorotetradecane 11.76
    n-nonane 6.18
    undecane 4.9
    tert-butylcyclohexane 9.87
    cyclooctane 6.58
    cyclopentanol 122.58
    tetrahydropyran 294.55
    tert-amyl methyl ether 82.27
    2,5,8-trioxanonane 156.26
    1-hexene 35.65
    2-isopropoxyethanol 94.28
    2,2,2-trifluoroethanol 31.18
    methyl butyrate 78.4

    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
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.3%