2,5,6-Trimethyl-2-heptanol

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  • Identifiers

    CAS number
    66256-48-2

    Molecular formula
    C10H22O

    SMILES
    CC(C)C(C)CCC(C)(C)O

  • Odor profile

    Fragrance
    Floral 82.67%
    Citrus 66.53%
    Fresh 57.64%
    Rose 56.46%
    Woody 55.01%
    Fruity 52.2%
    Lemon 46.68%
    Herbal 44.93%
    Sweet 43.14%
    Lily 40.91%

     

    Flavor
    Floral 46.14%
    Green 43.19%
    Lily 38.64%
    Woody 37.24%
    Oily 32.23%
    Mild 31.58%
    Waxy 31.36%
    Citrus 30.42%
    Fresh 29.97%
    Pungent 26.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.39 (weak base)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    197°C

    Flash point

    • 71.51 ˚C est.

  • Synonyms

    • 2,5,6-TRIMETHYL-2-HEPTANOL
    • 66256-48-2
    • DTXSID70436397
    • SCHEMBL4373923
    • DTXCID40387221

  • Applications

    2,5,6-Trimethyl-2-heptanol (CAS 66256-48-2) is primarily used as a fragrance ingredient and as an intermediate for the synthesis of aroma chemicals and esters. In perfumery, it contributes to scent formulations and can serve as a precursor for fragrance esters; in cosmetics and personal care, it is used as a fragrance component in various formulations; in household products, it acts as a fragrance additive in cleaners and air fresheners; in industrial manufacturing, it provides a building block for fragrance compounds and related esters; in coatings and inks, it may be used as a fragrance additive within formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 497.46
    methanol 321.5
    isopropanol 603.65
    water 1.2
    ethyl acetate 304.57
    n-propanol 445.62
    acetone 324.3
    n-butanol 492.68
    acetonitrile 216.03
    DMF 261.64
    toluene 175.43
    isobutanol 395.57
    1,4-dioxane 651.96
    methyl acetate 273.38
    THF 1046.03
    2-butanone 339.86
    n-pentanol 310.73
    sec-butanol 542.3
    n-hexane 274.99
    ethylene glycol 81.74
    NMP 287.41
    cyclohexane 286.84
    DMSO 220.32
    n-butyl acetate 440.77
    n-octanol 409.7
    chloroform 682.17
    n-propyl acetate 206.03
    acetic acid 213.64
    dichloromethane 371.34
    cyclohexanone 483.26
    propylene glycol 230.78
    isopropyl acetate 248.34
    DMAc 292.81
    2-ethoxyethanol 277.47
    isopentanol 455.54
    n-heptane 378.11
    ethyl formate 158.36
    1,2-dichloroethane 214.4
    n-hexanol 797.67
    2-methoxyethanol 437.48
    isobutyl acetate 187.06
    tetrachloromethane 194.91
    n-pentyl acetate 250.96
    transcutol 865.39
    n-heptanol 385.14
    ethylbenzene 145.29
    MIBK 218.42
    2-propoxyethanol 650.49
    tert-butanol 841.21
    MTBE 608.96
    2-butoxyethanol 396.85
    propionic acid 240.81
    o-xylene 156.19
    formic acid 50.35
    diethyl ether 393.29
    m-xylene 157.6
    p-xylene 207.77
    chlorobenzene 179.91
    dimethyl carbonate 67.19
    n-octane 118.86
    formamide 63.81
    cyclopentanone 472.56
    2-pentanone 289.27
    anisole 223.18
    cyclopentyl methyl ether 434.61
    gamma-butyrolactone 386.04
    1-methoxy-2-propanol 478.14
    pyridine 306.74
    3-pentanone 207.93
    furfural 312.51
    n-dodecane 87.44
    diethylene glycol 325.48
    diisopropyl ether 205.8
    tert-amyl alcohol 664.17
    acetylacetone 257.23
    n-hexadecane 94.47
    acetophenone 174.63
    methyl propionate 204.93
    isopentyl acetate 428.93
    trichloroethylene 368.76
    n-nonanol 361.19
    cyclohexanol 483.51
    benzyl alcohol 162.04
    2-ethylhexanol 554.62
    isooctanol 314.81
    dipropyl ether 524.14
    1,2-dichlorobenzene 171.17
    ethyl lactate 135.36
    propylene carbonate 263.89
    n-methylformamide 131.87
    2-pentanol 400.81
    n-pentane 205.21
    1-propoxy-2-propanol 658.82
    1-methoxy-2-propyl acetate 388.69
    2-(2-methoxypropoxy) propanol 390.68
    mesitylene 131.97
    ε-caprolactone 414.49
    p-cymene 195.0
    epichlorohydrin 390.98
    1,1,1-trichloroethane 389.67
    2-aminoethanol 213.97
    morpholine-4-carbaldehyde 417.55
    sulfolane 402.7
    2,2,4-trimethylpentane 118.22
    2-methyltetrahydrofuran 734.72
    n-hexyl acetate 434.01
    isooctane 106.06
    2-(2-butoxyethoxy)ethanol 498.38
    sec-butyl acetate 186.9
    tert-butyl acetate 316.63
    decalin 139.7
    glycerin 218.79
    diglyme 656.7
    acrylic acid 147.4
    isopropyl myristate 234.32
    n-butyric acid 382.21
    acetyl acetate 181.89
    di(2-ethylhexyl) phthalate 188.17
    ethyl propionate 191.59
    nitromethane 212.8
    1,2-diethoxyethane 367.99
    benzonitrile 209.31
    trioctyl phosphate 171.12
    1-bromopropane 312.02
    gamma-valerolactone 547.99
    n-decanol 287.52
    triethyl phosphate 167.49
    4-methyl-2-pentanol 289.42
    propionitrile 271.15
    vinylene carbonate 200.18
    1,1,2-trichlorotrifluoroethane 317.0
    DMS 191.83
    cumene 136.15
    2-octanol 286.58
    2-hexanone 245.57
    octyl acetate 277.15
    limonene 310.07
    1,2-dimethoxyethane 466.79
    ethyl orthosilicate 178.12
    tributyl phosphate 185.95
    diacetone alcohol 347.51
    N,N-dimethylaniline 179.1
    acrylonitrile 197.64
    aniline 208.11
    1,3-propanediol 296.28
    bromobenzene 191.78
    dibromomethane 344.03
    1,1,2,2-tetrachloroethane 413.39
    2-methyl-cyclohexyl acetate 322.93
    tetrabutyl urea 215.02
    diisobutyl methanol 312.41
    2-phenylethanol 282.51
    styrene 140.56
    dioctyl adipate 258.91
    dimethyl sulfate 94.92
    ethyl butyrate 289.56
    methyl lactate 144.45
    butyl lactate 244.54
    diethyl carbonate 193.13
    propanediol butyl ether 411.92
    triethyl orthoformate 272.29
    p-tert-butyltoluene 218.47
    methyl 4-tert-butylbenzoate 278.33
    morpholine 725.98
    tert-butylamine 693.51
    n-dodecanol 233.78
    dimethoxymethane 222.25
    ethylene carbonate 195.75
    cyrene 244.62
    2-ethoxyethyl acetate 246.68
    2-ethylhexyl acetate 374.32
    1,2,4-trichlorobenzene 216.74
    4-methylpyridine 317.89
    dibutyl ether 388.18
    2,6-dimethyl-4-heptanol 312.41
    DEF 242.65
    dimethyl isosorbide 495.81
    tetrachloroethylene 254.46
    eugenol 228.96
    triacetin 310.13
    span 80 443.87
    1,4-butanediol 115.0
    1,1-dichloroethane 351.31
    2-methyl-1-pentanol 282.34
    methyl formate 90.93
    2-methyl-1-butanol 393.54
    n-decane 143.59
    butyronitrile 356.41
    3,7-dimethyl-1-octanol 396.56
    1-chlorooctane 255.64
    1-chlorotetradecane 127.15
    n-nonane 151.99
    undecane 108.14
    tert-butylcyclohexane 159.88
    cyclooctane 129.99
    cyclopentanol 472.41
    tetrahydropyran 778.89
    tert-amyl methyl ether 442.09
    2,5,8-trioxanonane 466.23
    1-hexene 392.28
    2-isopropoxyethanol 261.26
    2,2,2-trifluoroethanol 68.26
    methyl butyrate 227.41

    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