3-(But-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C13H22O

    SMILES
    CC/C=C/C1=C(C(CCC1(C)C)O)C

  • Odor profile

    Woody 65.54%
    Fruity 53.85%
    Sweet 53.68%
    Spicy 52.12%
    Floral 51.41%
    Herbal 47.76%
    Powdery 32.52%
    Berry 32.49%
    Dry 32.29%
    Tobacco 31.43%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point est.
    119.56 ˚C

  • Synonyms

    • SPJJJLMGNIWHRG-VOTSOKGWSA-N
    • 3-(but-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-ol
    • 3-[(e)-but-1-enyl]-2,4,4-trimethyl-cyclohex-2-enol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 301.59
    methanol 232.01
    isopropanol 339.7
    water 0.14
    ethyl acetate 278.8
    n-propanol 349.27
    acetone 274.23
    n-butanol 356.63
    acetonitrile 213.7
    DMF 328.63
    toluene 350.43
    isobutanol 265.12
    1,4-dioxane 657.77
    methyl acetate 252.42
    THF 1071.6
    2-butanone 380.15
    n-pentanol 204.79
    sec-butanol 296.89
    n-hexane 80.4
    ethylene glycol 23.43
    NMP 265.19
    cyclohexane 140.27
    DMSO 196.27
    n-butyl acetate 425.74
    n-octanol 202.05
    chloroform 726.71
    n-propyl acetate 187.37
    acetic acid 87.68
    dichloromethane 537.54
    cyclohexanone 470.16
    propylene glycol 51.9
    isopropyl acetate 198.33
    DMAc 267.32
    2-ethoxyethanol 165.6
    isopentanol 309.38
    n-heptane 81.93
    ethyl formate 153.46
    1,2-dichloroethane 356.19
    n-hexanol 446.68
    2-methoxyethanol 275.12
    isobutyl acetate 155.47
    tetrachloromethane 157.11
    n-pentyl acetate 222.43
    transcutol 645.51
    n-heptanol 217.43
    ethylbenzene 164.12
    MIBK 214.39
    2-propoxyethanol 382.04
    tert-butanol 404.85
    MTBE 473.34
    2-butoxyethanol 243.79
    propionic acid 109.47
    o-xylene 184.78
    formic acid 19.82
    diethyl ether 485.48
    m-xylene 231.82
    p-xylene 194.03
    chlorobenzene 268.23
    dimethyl carbonate 75.58
    n-octane 32.52
    formamide 34.87
    cyclopentanone 512.95
    2-pentanone 324.82
    anisole 242.86
    cyclopentyl methyl ether 402.81
    gamma-butyrolactone 401.51
    1-methoxy-2-propanol 263.32
    pyridine 443.98
    3-pentanone 236.53
    furfural 285.65
    n-dodecane 22.75
    diethylene glycol 159.69
    diisopropyl ether 151.78
    tert-amyl alcohol 309.34
    acetylacetone 213.55
    n-hexadecane 26.97
    acetophenone 189.05
    methyl propionate 201.65
    isopentyl acetate 360.29
    trichloroethylene 576.42
    n-nonanol 172.56
    cyclohexanol 275.6
    benzyl alcohol 159.44
    2-ethylhexanol 269.6
    isooctanol 166.5
    dipropyl ether 314.22
    1,2-dichlorobenzene 215.11
    ethyl lactate 80.58
    propylene carbonate 230.47
    n-methylformamide 115.24
    2-pentanol 236.36
    n-pentane 87.63
    1-propoxy-2-propanol 323.74
    1-methoxy-2-propyl acetate 271.82
    2-(2-methoxypropoxy) propanol 203.08
    mesitylene 146.63
    ε-caprolactone 361.57
    p-cymene 145.36
    epichlorohydrin 500.69
    1,1,1-trichloroethane 391.6
    2-aminoethanol 74.01
    morpholine-4-carbaldehyde 323.18
    sulfolane 327.8
    2,2,4-trimethylpentane 43.46
    2-methyltetrahydrofuran 675.99
    n-hexyl acetate 306.69
    isooctane 42.67
    2-(2-butoxyethoxy)ethanol 276.62
    sec-butyl acetate 150.23
    tert-butyl acetate 232.68
    decalin 60.4
    glycerin 60.34
    diglyme 436.23
    acrylic acid 72.5
    isopropyl myristate 125.44
    n-butyric acid 227.31
    acetyl acetate 120.9
    di(2-ethylhexyl) phthalate 112.21
    ethyl propionate 161.29
    nitromethane 133.84
    1,2-diethoxyethane 330.18
    benzonitrile 234.84
    trioctyl phosphate 93.82
    1-bromopropane 414.8
    gamma-valerolactone 478.13
    n-decanol 125.68
    triethyl phosphate 99.23
    4-methyl-2-pentanol 155.24
    propionitrile 295.44
    vinylene carbonate 205.16
    1,1,2-trichlorotrifluoroethane 205.15
    DMS 159.83
    cumene 123.73
    2-octanol 151.01
    2-hexanone 228.23
    octyl acetate 155.08
    limonene 191.85
    1,2-dimethoxyethane 374.15
    ethyl orthosilicate 105.94
    tributyl phosphate 101.91
    diacetone alcohol 225.43
    N,N-dimethylaniline 166.55
    acrylonitrile 220.69
    aniline 239.84
    1,3-propanediol 141.33
    bromobenzene 318.43
    dibromomethane 453.66
    1,1,2,2-tetrachloroethane 459.02
    2-methyl-cyclohexyl acetate 195.0
    tetrabutyl urea 125.64
    diisobutyl methanol 147.34
    2-phenylethanol 235.29
    styrene 184.8
    dioctyl adipate 142.39
    dimethyl sulfate 94.65
    ethyl butyrate 231.43
    methyl lactate 77.23
    butyl lactate 154.07
    diethyl carbonate 135.49
    propanediol butyl ether 201.91
    triethyl orthoformate 153.43
    p-tert-butyltoluene 147.73
    methyl 4-tert-butylbenzoate 199.8
    morpholine 687.14
    tert-butylamine 328.77
    n-dodecanol 94.47
    dimethoxymethane 304.25
    ethylene carbonate 178.1
    cyrene 158.5
    2-ethoxyethyl acetate 236.43
    2-ethylhexyl acetate 301.59
    1,2,4-trichlorobenzene 243.27
    4-methylpyridine 452.04
    dibutyl ether 218.9
    2,6-dimethyl-4-heptanol 147.34
    DEF 257.32
    dimethyl isosorbide 315.41
    tetrachloroethylene 294.68
    eugenol 173.52
    triacetin 184.95
    span 80 201.13
    1,4-butanediol 48.75
    1,1-dichloroethane 425.52
    2-methyl-1-pentanol 193.73
    methyl formate 86.46
    2-methyl-1-butanol 271.28
    n-decane 42.93
    butyronitrile 379.72
    3,7-dimethyl-1-octanol 181.97
    1-chlorooctane 151.38
    1-chlorotetradecane 59.09
    n-nonane 42.39
    undecane 30.07
    tert-butylcyclohexane 61.88
    cyclooctane 53.14
    cyclopentanol 253.03
    tetrahydropyran 822.32
    tert-amyl methyl ether 273.87
    2,5,8-trioxanonane 283.83
    1-hexene 241.73
    2-isopropoxyethanol 153.2
    2,2,2-trifluoroethanol 27.07
    methyl butyrate 212.79

    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 2 8022-19-3 Crocus sativus L., fam. Iridaceae 3.62%