2,5-Dimethyl-5-hexen-3-ol

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  • Identifiers

    CAS number
    67760-91-2

    Molecular formula
    C8H16O

    SMILES
    CC(C)C(CC(=C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.59%
    Herbal 56.23%
    Sweet 49.29%
    Green 46.27%
    Citrus 45.46%
    Rose 42.8%
    Fruity 41.03%
    Fresh 39.2%
    Woody 36.83%
    Mint 34.1%

     

    Flavor
    Tropical 31.14%
    Herbal 30.4%
    Herb 28.84%
    Sweet 26.18%
    Fruity 26.04%
    Sulfurous 24.31%
    Green 24.21%
    Oily 22.95%
    Ocimene 21.45%
    Mouldy 21.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.6 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 52.63 ˚C est.

  • Synonyms

    • 2,5-Dimethyl-5-hexen-3-ol
    • 67760-91-2
    • RefChem:82950
    • 19550-91-5
    • LCBOFRBFVBROGF-UHFFFAOYSA-N
    • 2,5-dimethylhex-5-en-3-ol
    • 2,5-dimethyl-5-hexene-3-ol
    • SCHEMBL2053054
    • SCHEMBL8373106
    • DTXSID10987090
    • AKOS006275108
    • DB-055063
    • 67760-91-2

  • Applications

    2,5-Dimethyl-5-hexen-3-ol (CAS 67760-91-2) is a specialty aroma-chemical commonly used as a fragrance ingredient and as an intermediate in fragrance synthesis. In perfumery it can contribute green, floral, or woody notes depending on the formulation; it may also find use in flavor applications as an aroma compound in small amounts. In cosmetics and personal care it can be used as a fragrance ingredient within formulations, while in household products it may serve as a scent additive to impart a fresh aroma. In industrial manufacturing it can be used as an intermediate in the synthesis of other aroma chemicals and may be explored as a reactive intermediate for polymer or materials applications due to its allylic alcohol and terminal alkene functionalities; actual use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 201.82
    methanol 169.15
    isopropanol 291.92
    water 1.88
    ethyl acetate 127.36
    n-propanol 225.05
    acetone 183.4
    n-butanol 258.72
    acetonitrile 109.68
    DMF 153.06
    toluene 61.41
    isobutanol 243.8
    1,4-dioxane 246.11
    methyl acetate 150.75
    THF 445.7
    2-butanone 208.4
    n-pentanol 192.29
    sec-butanol 320.73
    n-hexane 109.36
    ethylene glycol 58.91
    NMP 237.17
    cyclohexane 66.55
    DMSO 157.03
    n-butyl acetate 254.22
    n-octanol 232.11
    chloroform 423.07
    n-propyl acetate 117.58
    acetic acid 163.31
    dichloromethane 206.87
    cyclohexanone 288.15
    propylene glycol 156.96
    isopropyl acetate 114.11
    DMAc 192.94
    2-ethoxyethanol 171.2
    isopentanol 281.64
    n-heptane 97.55
    ethyl formate 86.45
    1,2-dichloroethane 126.61
    n-hexanol 423.77
    2-methoxyethanol 212.11
    isobutyl acetate 113.06
    tetrachloromethane 105.06
    n-pentyl acetate 144.91
    transcutol 529.59
    n-heptanol 221.82
    ethylbenzene 73.52
    MIBK 145.68
    2-propoxyethanol 357.25
    tert-butanol 463.8
    MTBE 322.8
    2-butoxyethanol 247.79
    propionic acid 177.52
    o-xylene 73.6
    formic acid 41.68
    diethyl ether 158.38
    m-xylene 76.31
    p-xylene 106.0
    chlorobenzene 99.43
    dimethyl carbonate 38.11
    n-octane 37.1
    formamide 32.52
    cyclopentanone 317.0
    2-pentanone 157.5
    anisole 129.25
    cyclopentyl methyl ether 221.99
    gamma-butyrolactone 268.41
    1-methoxy-2-propanol 238.66
    pyridine 134.22
    3-pentanone 118.07
    furfural 226.63
    n-dodecane 29.78
    diethylene glycol 206.79
    diisopropyl ether 97.8
    tert-amyl alcohol 441.8
    acetylacetone 147.17
    n-hexadecane 31.77
    acetophenone 122.95
    methyl propionate 102.38
    isopentyl acetate 281.74
    trichloroethylene 286.87
    n-nonanol 196.18
    cyclohexanol 255.83
    benzyl alcohol 111.78
    2-ethylhexanol 288.77
    isooctanol 208.11
    dipropyl ether 208.14
    1,2-dichlorobenzene 110.04
    ethyl lactate 94.97
    propylene carbonate 194.53
    n-methylformamide 70.92
    2-pentanol 248.44
    n-pentane 71.51
    1-propoxy-2-propanol 349.1
    1-methoxy-2-propyl acetate 202.63
    2-(2-methoxypropoxy) propanol 245.08
    mesitylene 65.3
    ε-caprolactone 247.75
    p-cymene 94.51
    epichlorohydrin 234.84
    1,1,1-trichloroethane 231.89
    2-aminoethanol 126.12
    morpholine-4-carbaldehyde 222.13
    sulfolane 332.7
    2,2,4-trimethylpentane 64.35
    2-methyltetrahydrofuran 369.78
    n-hexyl acetate 249.84
    isooctane 54.9
    2-(2-butoxyethoxy)ethanol 309.29
    sec-butyl acetate 107.34
    tert-butyl acetate 175.54
    decalin 54.91
    glycerin 166.08
    diglyme 387.32
    acrylic acid 127.82
    isopropyl myristate 123.63
    n-butyric acid 239.63
    acetyl acetate 88.19
    di(2-ethylhexyl) phthalate 117.46
    ethyl propionate 97.89
    nitromethane 143.7
    1,2-diethoxyethane 179.49
    benzonitrile 130.47
    trioctyl phosphate 99.97
    1-bromopropane 139.08
    gamma-valerolactone 311.85
    n-decanol 153.48
    triethyl phosphate 91.13
    4-methyl-2-pentanol 187.56
    propionitrile 139.92
    vinylene carbonate 138.72
    1,1,2-trichlorotrifluoroethane 238.89
    DMS 112.15
    cumene 81.7
    2-octanol 178.6
    2-hexanone 168.86
    octyl acetate 147.54
    limonene 155.7
    1,2-dimethoxyethane 261.49
    ethyl orthosilicate 99.27
    tributyl phosphate 106.9
    diacetone alcohol 242.57
    N,N-dimethylaniline 113.2
    acrylonitrile 120.5
    aniline 96.55
    1,3-propanediol 167.31
    bromobenzene 94.89
    dibromomethane 180.8
    1,1,2,2-tetrachloroethane 301.8
    2-methyl-cyclohexyl acetate 195.1
    tetrabutyl urea 125.15
    diisobutyl methanol 186.4
    2-phenylethanol 183.36
    styrene 69.85
    dioctyl adipate 146.17
    dimethyl sulfate 72.77
    ethyl butyrate 156.05
    methyl lactate 95.32
    butyl lactate 154.92
    diethyl carbonate 100.82
    propanediol butyl ether 279.68
    triethyl orthoformate 137.49
    p-tert-butyltoluene 102.0
    methyl 4-tert-butylbenzoate 190.72
    morpholine 249.25
    tert-butylamine 351.71
    n-dodecanol 124.82
    dimethoxymethane 97.24
    ethylene carbonate 119.76
    cyrene 178.78
    2-ethoxyethyl acetate 137.05
    2-ethylhexyl acetate 218.15
    1,2,4-trichlorobenzene 144.75
    4-methylpyridine 154.54
    dibutyl ether 181.0
    2,6-dimethyl-4-heptanol 186.4
    DEF 136.85
    dimethyl isosorbide 316.94
    tetrachloroethylene 187.02
    eugenol 181.31
    triacetin 186.96
    span 80 274.3
    1,4-butanediol 93.47
    1,1-dichloroethane 206.76
    2-methyl-1-pentanol 217.79
    methyl formate 57.39
    2-methyl-1-butanol 268.99
    n-decane 49.22
    butyronitrile 174.76
    3,7-dimethyl-1-octanol 249.55
    1-chlorooctane 136.33
    1-chlorotetradecane 59.66
    n-nonane 51.77
    undecane 36.67
    tert-butylcyclohexane 79.41
    cyclooctane 35.21
    cyclopentanol 277.34
    tetrahydropyran 284.57
    tert-amyl methyl ether 246.32
    2,5,8-trioxanonane 292.6
    1-hexene 198.35
    2-isopropoxyethanol 166.48
    2,2,2-trifluoroethanol 60.79
    methyl butyrate 137.27

    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