5-Methyl-2-propan-2-ylhex-2-en-1-ol

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  • Identifiers

    CAS number
    40853-53-0

    Molecular formula
    C10H20O

    SMILES
    CC(C)CC=C(CO)C(C)C

  • Odor profile

    Fragrance
    Herbal 76.23%
    Woody 69.47%
    Mint 59.33%
    Fresh 50.87%
    Camphoreous 48.37%
    Spicy 47.35%
    Cooling 39.76%
    Pine 39.17%
    Green 35.99%
    Lavender 32.58%

     

    Flavor
    Green 35.24%
    Citrus 34.09%
    Floral 31.54%
    Fresh 30.32%
    Herbal 29.97%
    Waxy 26.14%
    Bitter 24.92%
    Fruity 24.76%
    Oily 24.72%
    Herb 23.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.89 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    199°C

    Flash point

    • 91.69 ˚C est.

  • Synonyms

    • 40853-53-0
    • 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-
    • 5-methyl-2-propan-2-ylhex-2-en-1-ol
    • DTXSID2068260
    • VUGJPGPMYGKRPW-UHFFFAOYSA-N
    • NS00012756

  • Applications

    5-Methyl-2-propan-2-ylhex-2-en-1-ol (CAS 40853-53-0) is used primarily as a fragrance and aroma chemical, with applications in perfumery where it can serve as a note or fixative and in flavor formulation as an aroma ingredient when permitted. In cosmetics and personal care, it appears as a fragrance ingredient enhancing products such as lotions, shampoos, and balms. It may also be evaluated for use in household products, including air fresheners and cleaners, to impart specific odor profiles. In industrial manufacturing, it can function as an intermediate for the synthesis of aroma compounds and fragrance blends, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 753.8
    methanol 278.96
    isopropanol 962.94
    water 0.33
    ethyl acetate 381.96
    n-propanol 727.48
    acetone 580.36
    n-butanol 785.98
    acetonitrile 474.89
    DMF 335.74
    toluene 172.2
    isobutanol 613.6
    1,4-dioxane 956.16
    methyl acetate 328.6
    THF 1573.15
    2-butanone 513.84
    n-pentanol 424.96
    sec-butanol 764.96
    n-hexane 204.2
    ethylene glycol 54.23
    NMP 356.12
    cyclohexane 342.58
    DMSO 397.27
    n-butyl acetate 596.53
    n-octanol 314.8
    chloroform 1207.87
    n-propyl acetate 273.23
    acetic acid 382.25
    dichloromethane 848.51
    cyclohexanone 790.9
    propylene glycol 160.48
    isopropyl acetate 227.55
    DMAc 206.37
    2-ethoxyethanol 287.12
    isopentanol 613.19
    n-heptane 277.11
    ethyl formate 266.99
    1,2-dichloroethane 475.28
    n-hexanol 821.26
    2-methoxyethanol 472.51
    isobutyl acetate 192.61
    tetrachloromethane 263.86
    n-pentyl acetate 273.31
    transcutol 847.81
    n-heptanol 357.4
    ethylbenzene 126.82
    MIBK 235.47
    2-propoxyethanol 577.3
    tert-butanol 1088.9
    MTBE 608.22
    2-butoxyethanol 377.97
    propionic acid 316.14
    o-xylene 127.27
    formic acid 47.88
    diethyl ether 555.21
    m-xylene 133.88
    p-xylene 179.67
    chlorobenzene 263.78
    dimethyl carbonate 60.24
    n-octane 71.16
    formamide 71.43
    cyclopentanone 793.52
    2-pentanone 409.77
    anisole 203.41
    cyclopentyl methyl ether 507.81
    gamma-butyrolactone 660.25
    1-methoxy-2-propanol 446.16
    pyridine 532.79
    3-pentanone 244.72
    furfural 447.13
    n-dodecane 45.06
    diethylene glycol 241.91
    diisopropyl ether 173.56
    tert-amyl alcohol 688.82
    acetylacetone 276.84
    n-hexadecane 50.44
    acetophenone 178.79
    methyl propionate 210.26
    isopentyl acetate 487.53
    trichloroethylene 821.93
    n-nonanol 263.6
    cyclohexanol 668.67
    benzyl alcohol 177.88
    2-ethylhexanol 502.94
    isooctanol 271.06
    dipropyl ether 532.43
    1,2-dichlorobenzene 233.46
    ethyl lactate 115.23
    propylene carbonate 415.36
    n-methylformamide 165.23
    2-pentanol 553.57
    n-pentane 202.56
    1-propoxy-2-propanol 573.8
    1-methoxy-2-propyl acetate 308.37
    2-(2-methoxypropoxy) propanol 260.78
    mesitylene 106.69
    ε-caprolactone 571.75
    p-cymene 159.04
    epichlorohydrin 706.94
    1,1,1-trichloroethane 619.98
    2-aminoethanol 174.6
    morpholine-4-carbaldehyde 403.85
    sulfolane 583.43
    2,2,4-trimethylpentane 80.5
    2-methyltetrahydrofuran 1113.4
    n-hexyl acetate 395.7
    isooctane 80.75
    2-(2-butoxyethoxy)ethanol 391.87
    sec-butyl acetate 183.66
    tert-butyl acetate 257.6
    decalin 95.46
    glycerin 143.96
    diglyme 591.39
    acrylic acid 192.55
    isopropyl myristate 165.91
    n-butyric acid 656.14
    acetyl acetate 174.62
    di(2-ethylhexyl) phthalate 136.92
    ethyl propionate 199.44
    nitromethane 408.52
    1,2-diethoxyethane 387.95
    benzonitrile 299.87
    trioctyl phosphate 126.59
    1-bromopropane 531.8
    gamma-valerolactone 768.54
    n-decanol 190.02
    triethyl phosphate 134.66
    4-methyl-2-pentanol 269.9
    propionitrile 437.2
    vinylene carbonate 302.35
    1,1,2-trichlorotrifluoroethane 400.51
    DMS 152.2
    cumene 105.79
    2-octanol 250.95
    2-hexanone 330.51
    octyl acetate 198.51
    limonene 286.2
    1,2-dimethoxyethane 537.94
    ethyl orthosilicate 146.17
    tributyl phosphate 137.01
    diacetone alcohol 317.5
    N,N-dimethylaniline 136.11
    acrylonitrile 325.94
    aniline 232.92
    1,3-propanediol 341.06
    bromobenzene 270.99
    dibromomethane 768.5
    1,1,2,2-tetrachloroethane 734.55
    2-methyl-cyclohexyl acetate 286.59
    tetrabutyl urea 163.57
    diisobutyl methanol 279.96
    2-phenylethanol 254.75
    styrene 138.07
    dioctyl adipate 203.41
    dimethyl sulfate 91.7
    ethyl butyrate 345.0
    methyl lactate 106.78
    butyl lactate 219.0
    diethyl carbonate 192.85
    propanediol butyl ether 325.94
    triethyl orthoformate 260.19
    p-tert-butyltoluene 161.7
    methyl 4-tert-butylbenzoate 218.5
    morpholine 1126.24
    tert-butylamine 780.97
    n-dodecanol 144.74
    dimethoxymethane 233.74
    ethylene carbonate 282.92
    cyrene 205.65
    2-ethoxyethyl acetate 244.79
    2-ethylhexyl acetate 404.93
    1,2,4-trichlorobenzene 263.48
    4-methylpyridine 449.41
    dibutyl ether 344.18
    2,6-dimethyl-4-heptanol 279.96
    DEF 294.2
    dimethyl isosorbide 411.85
    tetrachloroethylene 440.19
    eugenol 195.28
    triacetin 234.98
    span 80 332.55
    1,4-butanediol 114.86
    1,1-dichloroethane 680.09
    2-methyl-1-pentanol 330.23
    methyl formate 118.37
    2-methyl-1-butanol 549.95
    n-decane 82.91
    butyronitrile 654.92
    3,7-dimethyl-1-octanol 280.29
    1-chlorooctane 215.44
    1-chlorotetradecane 86.29
    n-nonane 90.04
    undecane 58.4
    tert-butylcyclohexane 98.36
    cyclooctane 103.33
    cyclopentanol 673.25
    tetrahydropyran 1387.96
    tert-amyl methyl ether 351.91
    2,5,8-trioxanonane 382.9
    1-hexene 416.26
    2-isopropoxyethanol 234.8
    2,2,2-trifluoroethanol 84.0
    methyl butyrate 293.05

    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