4-(2,3,6-Trimethylphenyl)butan-2-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C13H20O

    SMILES
    CC1=C(C(=C(C=C1)C)CCC(C)O)C

  • Odor profile

    Floral 76.71%
    Green 45.56%
    Rose 34.45%
    Sweet 33.32%
    Earthy 31.94%
    Woody 31.14%
    Lily 30.71%
    Animal 30.23%
    Fruity 29.9%
    Muguet 28.07%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.42 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point est.
    121.85 ˚C

  • Synonyms

    • 4-(2,3,6-Trimethylphenyl)butan-2-ol
    • SCHEMBL15389675
    • IMXWSBUOJQZJJZ-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2557.68
    methanol 2206.77
    isopropanol 1728.72
    water 0.93
    ethyl acetate 2292.76
    n-propanol 2448.18
    acetone 2370.91
    n-butanol 1925.31
    acetonitrile 2228.14
    DMF 1764.31
    toluene 747.47
    isobutanol 1337.33
    1,4-dioxane 4602.07
    methyl acetate 1964.44
    THF 4484.47
    2-butanone 2078.59
    n-pentanol 1012.16
    sec-butanol 1336.29
    n-hexane 426.33
    ethylene glycol 159.09
    NMP 1021.65
    cyclohexane 446.39
    DMSO 1171.08
    n-butyl acetate 1527.48
    n-octanol 377.97
    chloroform 3038.17
    n-propyl acetate 1010.35
    acetic acid 642.82
    dichloromethane 2990.87
    cyclohexanone 1964.65
    propylene glycol 283.85
    isopropyl acetate 1032.2
    DMAc 1061.68
    2-ethoxyethanol 1083.72
    isopentanol 1202.45
    n-heptane 204.28
    ethyl formate 1060.59
    1,2-dichloroethane 2056.79
    n-hexanol 1519.7
    2-methoxyethanol 1805.37
    isobutyl acetate 555.53
    tetrachloromethane 623.41
    n-pentyl acetate 535.44
    transcutol 2667.81
    n-heptanol 441.69
    ethylbenzene 332.0
    MIBK 663.96
    2-propoxyethanol 1839.67
    tert-butanol 1878.96
    MTBE 2447.71
    2-butoxyethanol 703.73
    propionic acid 885.13
    o-xylene 352.21
    formic acid 167.72
    diethyl ether 3889.56
    m-xylene 397.16
    p-xylene 401.3
    chlorobenzene 793.55
    dimethyl carbonate 362.97
    n-octane 70.02
    formamide 423.5
    cyclopentanone 2179.08
    2-pentanone 1639.59
    anisole 671.31
    cyclopentyl methyl ether 1662.8
    gamma-butyrolactone 2120.22
    1-methoxy-2-propanol 1196.17
    pyridine 1749.69
    3-pentanone 1302.62
    furfural 1013.03
    n-dodecane 36.18
    diethylene glycol 683.89
    diisopropyl ether 642.59
    tert-amyl alcohol 1237.43
    acetylacetone 1004.33
    n-hexadecane 43.53
    acetophenone 442.64
    methyl propionate 1402.0
    isopentyl acetate 1077.02
    trichloroethylene 2525.16
    n-nonanol 320.3
    cyclohexanol 1087.44
    benzyl alcohol 412.27
    2-ethylhexanol 664.07
    isooctanol 321.27
    dipropyl ether 1409.99
    1,2-dichlorobenzene 540.31
    ethyl lactate 235.25
    propylene carbonate 807.69
    n-methylformamide 1079.82
    2-pentanol 1027.55
    n-pentane 341.12
    1-propoxy-2-propanol 1096.28
    1-methoxy-2-propyl acetate 978.97
    2-(2-methoxypropoxy) propanol 401.64
    mesitylene 228.7
    ε-caprolactone 1478.53
    p-cymene 200.31
    epichlorohydrin 2485.22
    1,1,1-trichloroethane 1628.38
    2-aminoethanol 554.03
    morpholine-4-carbaldehyde 1465.25
    sulfolane 1273.4
    2,2,4-trimethylpentane 111.93
    2-methyltetrahydrofuran 3224.23
    n-hexyl acetate 716.49
    isooctane 83.7
    2-(2-butoxyethoxy)ethanol 717.15
    sec-butyl acetate 583.53
    tert-butyl acetate 884.53
    decalin 151.21
    glycerin 254.39
    diglyme 1436.45
    acrylic acid 462.82
    isopropyl myristate 231.68
    n-butyric acid 1350.57
    acetyl acetate 728.78
    di(2-ethylhexyl) phthalate 181.92
    ethyl propionate 819.79
    nitromethane 1438.45
    1,2-diethoxyethane 1675.15
    benzonitrile 576.76
    trioctyl phosphate 152.58
    1-bromopropane 1585.12
    gamma-valerolactone 2226.56
    n-decanol 222.74
    triethyl phosphate 245.1
    4-methyl-2-pentanol 428.19
    propionitrile 1980.7
    vinylene carbonate 738.47
    1,1,2-trichlorotrifluoroethane 815.74
    DMS 466.04
    cumene 218.0
    2-octanol 282.02
    2-hexanone 967.48
    octyl acetate 290.63
    limonene 354.18
    1,2-dimethoxyethane 2138.78
    ethyl orthosilicate 269.9
    tributyl phosphate 194.54
    diacetone alcohol 690.84
    N,N-dimethylaniline 370.68
    acrylonitrile 1354.33
    aniline 863.4
    1,3-propanediol 834.88
    bromobenzene 809.63
    dibromomethane 2068.55
    1,1,2,2-tetrachloroethane 1935.31
    2-methyl-cyclohexyl acetate 447.71
    tetrabutyl urea 227.02
    diisobutyl methanol 294.85
    2-phenylethanol 517.41
    styrene 410.24
    dioctyl adipate 274.3
    dimethyl sulfate 408.45
    ethyl butyrate 848.92
    methyl lactate 286.04
    butyl lactate 323.8
    diethyl carbonate 458.72
    propanediol butyl ether 414.29
    triethyl orthoformate 510.51
    p-tert-butyltoluene 214.29
    methyl 4-tert-butylbenzoate 343.46
    morpholine 4869.44
    tert-butylamine 1412.47
    n-dodecanol 163.57
    dimethoxymethane 1686.82
    ethylene carbonate 799.35
    cyrene 357.72
    2-ethoxyethyl acetate 744.42
    2-ethylhexyl acetate 835.68
    1,2,4-trichlorobenzene 596.29
    4-methylpyridine 1651.35
    dibutyl ether 746.23
    2,6-dimethyl-4-heptanol 294.85
    DEF 1501.61
    dimethyl isosorbide 700.44
    tetrachloroethylene 1287.44
    eugenol 321.53
    triacetin 411.63
    span 80 381.81
    1,4-butanediol 250.33
    1,1-dichloroethane 2170.48
    2-methyl-1-pentanol 729.08
    methyl formate 742.55
    2-methyl-1-butanol 1217.23
    n-decane 77.59
    butyronitrile 1903.72
    3,7-dimethyl-1-octanol 317.69
    1-chlorooctane 306.2
    1-chlorotetradecane 98.9
    n-nonane 84.01
    undecane 51.01
    tert-butylcyclohexane 149.8
    cyclooctane 133.2
    cyclopentanol 1059.0
    tetrahydropyran 4614.55
    tert-amyl methyl ether 1212.0
    2,5,8-trioxanonane 754.19
    1-hexene 1199.1
    2-isopropoxyethanol 736.83
    2,2,2-trifluoroethanol 193.9
    methyl butyrate 1044.72

    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
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.3%