1-Hexen-3-ol, 3-methyl-

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  • Identifiers

    CAS number
    55145-28-3

    Molecular formula
    C7H14O

    SMILES
    CCCC(C)(C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 68.78%
    Herbal 61.99%
    Fruity 57.39%
    Earthy 53.4%
    Fresh 53.37%
    Floral 52.19%
    Sweet 50.9%
    Woody 44.98%
    Citrus 37.42%
    Lavender 35.2%

     

    Flavor
    Green 60.14%
    Herbal 51.98%
    Woody 46.5%
    Sweet 45.63%
    Floral 43.39%
    Oily 39.6%
    Earthy 38.3%
    Herb 37.98%
    Tropical 34.9%
    Fruity 33.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.67 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point

    • 39.22 ˚C est.

  • Synonyms

    • 3-Methyl-1-hexen-3-ol
    • 1-HEXEN-3-OL, 3-METHYL-
    • BRN 1699561
    • 3-Methyl-hexen-(1)-ol-(3)
    • 3-Methyl-hexen-(1)-ol-(3) [German]
    • 4-01-00-02158 (Beilstein Handbook Reference)
    • RefChem:433046
    • 3-methylhex-1-en-3-ol
    • 55145-28-3
    • SCHEMBL7095968
    • SCHEMBL11660695
    • DTXSID00970496
    • AKOS006275342
    • 55145-28-3

  • Applications

    1-Hexen-3-ol, 3-methyl-, CAS 55145-28-3 is commonly used as an intermediate and as a fragrance and flavor ingredient in the fragrance, flavor, and cosmetic industries, typically converted to aroma esters for perfumes, beverages, and seasonings. It can also function in cosmetics and personal care as an aroma component or fragrance base, and may appear in household cleaning products as a scent ingredient. In industrial manufacturing, it serves as a building block for the synthesis of aroma-related intermediates and may be incorporated into polymer or coating formulations as a fragrance additive or odor carrier. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 635.43
    methanol 817.54
    isopropanol 589.97
    water 4.1
    ethyl acetate 264.02
    n-propanol 573.24
    acetone 265.73
    n-butanol 625.43
    acetonitrile 192.52
    DMF 287.28
    toluene 121.4
    isobutanol 489.08
    1,4-dioxane 559.57
    methyl acetate 240.13
    THF 837.64
    2-butanone 305.91
    n-pentanol 449.5
    sec-butanol 637.29
    n-hexane 348.49
    ethylene glycol 138.2
    NMP 357.24
    cyclohexane 174.3
    DMSO 287.97
    n-butyl acetate 364.47
    n-octanol 392.6
    chloroform 433.13
    n-propyl acetate 196.49
    acetic acid 242.46
    dichloromethane 270.41
    cyclohexanone 445.3
    propylene glycol 233.88
    isopropyl acetate 208.22
    DMAc 280.57
    2-ethoxyethanol 390.85
    isopentanol 555.8
    n-heptane 252.15
    ethyl formate 149.75
    1,2-dichloroethane 179.74
    n-hexanol 987.97
    2-methoxyethanol 524.15
    isobutyl acetate 172.73
    tetrachloromethane 161.07
    n-pentyl acetate 239.81
    transcutol 862.47
    n-heptanol 397.52
    ethylbenzene 102.16
    MIBK 250.4
    2-propoxyethanol 786.47
    tert-butanol 819.45
    MTBE 651.97
    2-butoxyethanol 395.59
    propionic acid 285.02
    o-xylene 119.25
    formic acid 100.03
    diethyl ether 471.32
    m-xylene 134.37
    p-xylene 130.15
    chlorobenzene 133.03
    dimethyl carbonate 57.81
    n-octane 85.87
    formamide 69.23
    cyclopentanone 408.95
    2-pentanone 288.73
    anisole 173.34
    cyclopentyl methyl ether 456.97
    gamma-butyrolactone 359.82
    1-methoxy-2-propanol 489.34
    pyridine 199.55
    3-pentanone 204.37
    furfural 260.83
    n-dodecane 58.48
    diethylene glycol 432.06
    diisopropyl ether 232.98
    tert-amyl alcohol 759.23
    acetylacetone 203.78
    n-hexadecane 62.38
    acetophenone 138.48
    methyl propionate 189.1
    isopentyl acetate 352.32
    trichloroethylene 261.97
    n-nonanol 322.01
    cyclohexanol 465.58
    benzyl alcohol 158.65
    2-ethylhexanol 528.16
    isooctanol 318.27
    dipropyl ether 431.8
    1,2-dichlorobenzene 131.79
    ethyl lactate 120.65
    propylene carbonate 214.5
    n-methylformamide 151.87
    2-pentanol 513.59
    n-pentane 242.16
    1-propoxy-2-propanol 619.53
    1-methoxy-2-propyl acetate 287.24
    2-(2-methoxypropoxy) propanol 312.27
    mesitylene 109.14
    ε-caprolactone 371.74
    p-cymene 118.9
    epichlorohydrin 328.66
    1,1,1-trichloroethane 261.29
    2-aminoethanol 291.02
    morpholine-4-carbaldehyde 370.65
    sulfolane 387.24
    2,2,4-trimethylpentane 130.5
    2-methyltetrahydrofuran 682.33
    n-hexyl acetate 396.15
    isooctane 113.77
    2-(2-butoxyethoxy)ethanol 423.54
    sec-butyl acetate 170.79
    tert-butyl acetate 295.98
    decalin 104.31
    glycerin 259.44
    diglyme 519.39
    acrylic acid 177.23
    isopropyl myristate 164.23
    n-butyric acid 401.94
    acetyl acetate 122.99
    di(2-ethylhexyl) phthalate 132.14
    ethyl propionate 168.05
    nitromethane 192.77
    1,2-diethoxyethane 350.1
    benzonitrile 163.14
    trioctyl phosphate 127.11
    1-bromopropane 270.64
    gamma-valerolactone 439.62
    n-decanol 241.02
    triethyl phosphate 105.15
    4-methyl-2-pentanol 349.62
    propionitrile 252.34
    vinylene carbonate 159.65
    1,1,2-trichlorotrifluoroethane 252.84
    DMS 136.38
    cumene 104.1
    2-octanol 281.0
    2-hexanone 282.45
    octyl acetate 198.74
    limonene 223.57
    1,2-dimethoxyethane 533.52
    ethyl orthosilicate 122.63
    tributyl phosphate 139.99
    diacetone alcohol 344.66
    N,N-dimethylaniline 147.69
    acrylonitrile 184.43
    aniline 165.37
    1,3-propanediol 353.71
    bromobenzene 125.4
    dibromomethane 248.18
    1,1,2,2-tetrachloroethane 285.56
    2-methyl-cyclohexyl acetate 226.75
    tetrabutyl urea 157.66
    diisobutyl methanol 260.02
    2-phenylethanol 271.13
    styrene 100.48
    dioctyl adipate 173.28
    dimethyl sulfate 89.02
    ethyl butyrate 222.42
    methyl lactate 130.66
    butyl lactate 192.19
    diethyl carbonate 123.84
    propanediol butyl ether 368.94
    triethyl orthoformate 178.84
    p-tert-butyltoluene 128.91
    methyl 4-tert-butylbenzoate 197.66
    morpholine 576.82
    tert-butylamine 654.76
    n-dodecanol 187.01
    dimethoxymethane 251.58
    ethylene carbonate 154.04
    cyrene 206.21
    2-ethoxyethyl acetate 218.89
    2-ethylhexyl acetate 295.4
    1,2,4-trichlorobenzene 151.01
    4-methylpyridine 235.62
    dibutyl ether 352.79
    2,6-dimethyl-4-heptanol 260.02
    DEF 273.5
    dimethyl isosorbide 389.57
    tetrachloroethylene 211.04
    eugenol 195.14
    triacetin 211.9
    span 80 342.1
    1,4-butanediol 187.54
    1,1-dichloroethane 260.73
    2-methyl-1-pentanol 424.3
    methyl formate 101.58
    2-methyl-1-butanol 529.09
    n-decane 100.74
    butyronitrile 319.04
    3,7-dimethyl-1-octanol 378.27
    1-chlorooctane 222.68
    1-chlorotetradecane 94.02
    n-nonane 113.42
    undecane 73.79
    tert-butylcyclohexane 140.04
    cyclooctane 89.28
    cyclopentanol 439.8
    tetrahydropyran 641.4
    tert-amyl methyl ether 488.95
    2,5,8-trioxanonane 383.71
    1-hexene 506.0
    2-isopropoxyethanol 332.2
    2,2,2-trifluoroethanol 77.04
    methyl butyrate 216.15

    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