2-Isopropyl-5-methylhexan-1-ol

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  • Identifiers

    CAS number
    2051-33-4

    Molecular formula
    C10H22O

    SMILES
    CC(C)CCC(CO)C(C)C

  • Odor profile

    Fragrance
    Woody 52.35%
    Floral 47.66%
    Mint 47.61%
    Herbal 45.96%
    Fresh 39.33%
    Sweet 38.43%
    Rose 37.33%
    Oily 37.13%
    Fruity 34.34%
    Camphoreous 33.67%

     

    Flavor
    Fresh 40.44%
    Green 38.21%
    Citrus 35.22%
    Waxy 34.47%
    Floral 33.29%
    Mild 32.58%
    Oily 28.75%
    Lily 25.36%
    Leathery 24.99%
    Yeasty 24.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.92 (weak base)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    206°C

    Flash point

    • 86.85 ˚C est.

  • Synonyms

    • Tetrahydrolavandulol
    • 2051-33-4
    • 2-Isopropyl-5-methylhexan-1-ol
    • 1-Hexanol, 5-methyl-2-(1-methylethyl)-
    • 5-methyl-2-propan-2-ylhexan-1-ol
    • 2-Isopropyl-5-methylhexanol
    • EINECS 218-119-3
    • NSC 65622
    • NSC-65622
    • 5-methyl-2-(propan-2-yl)hexan-1-ol
    • 5-methyl-2-(1-methylethyl)-hexan-1-ol
    • 2-Isopropyl-5-methyl-1-hexanol
    • NSC65622
    • MFCD00067466
    • NCIOpen2_000231
    • SCHEMBL671825
    • 425V7GFG8W
    • DTXSID60870928
    • 2-Isopropyl-5-methyl-1-hexanol #
    • AKOS009159533
    • SB85077
    • BS-49382
    • NS00046501
    • E84750
    • 218-119-3

  • Applications

    2-Isopropyl-5-methylhexan-1-ol (CAS 2051-33-4) is used in fragrance-related applications as an odorant and as an intermediate in the synthesis of fragrance compounds; in cosmetics and personal care it can serve as a scent ingredient; in household products and cleaning formulations it is employed as a fragrance component and as a solvent or processing aid; in coatings and inks it functions as a solvent and processing aid; in industrial manufacturing it may be used as an intermediate for the preparation of additional fragrance materials and related chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1152.77
    methanol 468.03
    isopropanol 1420.5
    water 0.3
    ethyl acetate 509.24
    n-propanol 1093.34
    acetone 709.5
    n-butanol 1143.21
    acetonitrile 528.73
    DMF 353.95
    toluene 191.51
    isobutanol 882.29
    1,4-dioxane 1268.59
    methyl acetate 405.27
    THF 2326.54
    2-butanone 608.68
    n-pentanol 600.87
    sec-butanol 1022.46
    n-hexane 303.89
    ethylene glycol 74.02
    NMP 396.87
    cyclohexane 493.86
    DMSO 515.16
    n-butyl acetate 970.79
    n-octanol 403.84
    chloroform 1351.99
    n-propyl acetate 434.17
    acetic acid 541.86
    dichloromethane 977.63
    cyclohexanone 1095.43
    propylene glycol 220.1
    isopropyl acetate 334.52
    DMAc 217.33
    2-ethoxyethanol 408.42
    isopentanol 869.83
    n-heptane 478.37
    ethyl formate 356.85
    1,2-dichloroethane 579.07
    n-hexanol 1279.83
    2-methoxyethanol 690.35
    isobutyl acetate 284.6
    tetrachloromethane 353.9
    n-pentyl acetate 377.58
    transcutol 1095.24
    n-heptanol 529.58
    ethylbenzene 143.26
    MIBK 311.21
    2-propoxyethanol 885.73
    tert-butanol 1620.34
    MTBE 857.37
    2-butoxyethanol 554.93
    propionic acid 481.28
    o-xylene 145.03
    formic acid 71.31
    diethyl ether 734.4
    m-xylene 153.01
    p-xylene 216.8
    chlorobenzene 309.78
    dimethyl carbonate 61.6
    n-octane 108.45
    formamide 97.67
    cyclopentanone 1015.3
    2-pentanone 532.08
    anisole 233.48
    cyclopentyl methyl ether 713.25
    gamma-butyrolactone 885.81
    1-methoxy-2-propanol 617.77
    pyridine 669.08
    3-pentanone 296.02
    furfural 605.05
    n-dodecane 57.27
    diethylene glycol 355.08
    diisopropyl ether 252.46
    tert-amyl alcohol 957.68
    acetylacetone 355.48
    n-hexadecane 64.5
    acetophenone 198.01
    methyl propionate 256.69
    isopentyl acetate 780.59
    trichloroethylene 956.54
    n-nonanol 333.94
    cyclohexanol 969.43
    benzyl alcohol 205.02
    2-ethylhexanol 807.15
    isooctanol 424.11
    dipropyl ether 899.7
    1,2-dichlorobenzene 278.13
    ethyl lactate 150.34
    propylene carbonate 553.11
    n-methylformamide 221.07
    2-pentanol 754.7
    n-pentane 269.61
    1-propoxy-2-propanol 914.48
    1-methoxy-2-propyl acetate 467.81
    2-(2-methoxypropoxy) propanol 320.61
    mesitylene 120.14
    ε-caprolactone 810.77
    p-cymene 208.57
    epichlorohydrin 938.44
    1,1,1-trichloroethane 732.9
    2-aminoethanol 256.95
    morpholine-4-carbaldehyde 501.16
    sulfolane 771.41
    2,2,4-trimethylpentane 113.73
    2-methyltetrahydrofuran 1514.58
    n-hexyl acetate 492.32
    isooctane 113.24
    2-(2-butoxyethoxy)ethanol 508.07
    sec-butyl acetate 281.76
    tert-butyl acetate 366.54
    decalin 135.41
    glycerin 202.94
    diglyme 797.01
    acrylic acid 267.22
    isopropyl myristate 211.29
    n-butyric acid 1007.66
    acetyl acetate 231.85
    di(2-ethylhexyl) phthalate 163.17
    ethyl propionate 286.26
    nitromethane 511.58
    1,2-diethoxyethane 552.55
    benzonitrile 357.41
    trioctyl phosphate 161.15
    1-bromopropane 650.53
    gamma-valerolactone 1061.91
    n-decanol 241.51
    triethyl phosphate 196.25
    4-methyl-2-pentanol 376.73
    propionitrile 548.15
    vinylene carbonate 384.92
    1,1,2-trichlorotrifluoroethane 542.72
    DMS 177.89
    cumene 123.87
    2-octanol 342.07
    2-hexanone 480.33
    octyl acetate 249.52
    limonene 412.94
    1,2-dimethoxyethane 765.07
    ethyl orthosilicate 219.99
    tributyl phosphate 183.97
    diacetone alcohol 449.7
    N,N-dimethylaniline 150.9
    acrylonitrile 393.89
    aniline 286.02
    1,3-propanediol 514.91
    bromobenzene 309.37
    dibromomethane 880.15
    1,1,2,2-tetrachloroethane 877.89
    2-methyl-cyclohexyl acetate 424.0
    tetrabutyl urea 208.23
    diisobutyl methanol 433.59
    2-phenylethanol 330.37
    styrene 155.83
    dioctyl adipate 268.01
    dimethyl sulfate 96.63
    ethyl butyrate 558.16
    methyl lactate 130.62
    butyl lactate 308.85
    diethyl carbonate 299.37
    propanediol butyl ether 413.61
    triethyl orthoformate 418.51
    p-tert-butyltoluene 204.14
    methyl 4-tert-butylbenzoate 258.52
    morpholine 1450.11
    tert-butylamine 1167.36
    n-dodecanol 183.88
    dimethoxymethane 267.36
    ethylene carbonate 383.83
    cyrene 244.02
    2-ethoxyethyl acetate 317.64
    2-ethylhexyl acetate 636.57
    1,2,4-trichlorobenzene 305.65
    4-methylpyridine 537.02
    dibutyl ether 511.23
    2,6-dimethyl-4-heptanol 433.59
    DEF 374.55
    dimethyl isosorbide 528.06
    tetrachloroethylene 561.71
    eugenol 229.73
    triacetin 277.58
    span 80 430.28
    1,4-butanediol 155.1
    1,1-dichloroethane 782.71
    2-methyl-1-pentanol 450.73
    methyl formate 150.79
    2-methyl-1-butanol 733.69
    n-decane 113.56
    butyronitrile 869.28
    3,7-dimethyl-1-octanol 384.88
    1-chlorooctane 281.16
    1-chlorotetradecane 104.8
    n-nonane 127.54
    undecane 76.23
    tert-butylcyclohexane 143.09
    cyclooctane 146.96
    cyclopentanol 987.92
    tetrahydropyran 1891.1
    tert-amyl methyl ether 480.16
    2,5,8-trioxanonane 482.31
    1-hexene 596.62
    2-isopropoxyethanol 323.57
    2,2,2-trifluoroethanol 117.8
    methyl butyrate 436.34

    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