1-Octen-4-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    40575-42-6

    Molecular formula
    C8H16O

    SMILES
    CCCCC(CC=C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 80.07%
    Fruity 65.93%
    Earthy 58.58%
    Mushroom 55.44%
    Metallic 45.08%
    Vegetable 41.24%
    Cheesy 40.56%
    Oily 40.02%
    Herbal 37.33%
    Fatty 35.66%

     

    Flavor
    Green 53.88%
    Oily 35.88%
    Herbal 35.48%
    Spicy 33.93%
    Mushroom 33.16%
    Earthy 33.09%
    Fresh 29.79%
    Fishy 28.63%
    Vegetable 27.32%
    Tropical 26.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.39 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    173°C

    Flash point

    • 61.02 ˚C est.

  • Synonyms

    • 1-Octen-4-ol
    • NSC 244902
    • RefChem:76783
    • UZGCMRVEDHLBGY-UHFFFAOYSA-N
    • oct-1-en-4-ol
    • 40575-42-6
    • Allyl n-butyl carbinol
    • MFCD00021943
    • NSC244902
    • (2e)-octen-4-ol
    • SCHEMBL173556
    • SCHEMBL290731
    • SCHEMBL2049924
    • SCHEMBL6408573
    • SCHEMBL27620411
    • SCHEMBL29256121
    • DTXSID801347289
    • AKOS027327399
    • NSC-244902
    • AS-56499
    • CS-0452194
    • 40575-42-6

  • Applications

    1-Octen-4-ol (CAS 40575-42-6) is primarily used as a fragrance ingredient and flavor precursor in specialty applications. In perfumery and cosmetics, it contributes green and mushroom-like notes as a minor odorant or within blends. In the flavor industry, it may be evaluated for mushroom- and herb-like notes in limited formulations, with use governed by regulatory limits. It can serve as an industrial intermediate for the synthesis of other fragrance compounds or functional materials. In household products and cleaning formulations, it can impart a natural, fresh note when included within approved scent profiles. These roles—fragrance ingredient, potential flavor contributor, and synthetic intermediate in fragrance-related manufacturing—capture its typical uses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2113.72
    methanol 2085.89
    isopropanol 1966.83
    water 0.76
    ethyl acetate 582.33
    n-propanol 1778.5
    acetone 936.53
    n-butanol 1844.19
    acetonitrile 540.03
    DMF 821.01
    toluene 221.89
    isobutanol 1404.03
    1,4-dioxane 1269.69
    methyl acetate 465.3
    THF 2179.23
    2-butanone 726.27
    n-pentanol 1193.17
    sec-butanol 1566.28
    n-hexane 676.7
    ethylene glycol 271.26
    NMP 544.43
    cyclohexane 612.81
    DMSO 1140.43
    n-butyl acetate 1101.54
    n-octanol 545.85
    chloroform 1173.17
    n-propyl acetate 501.39
    acetic acid 736.15
    dichloromethane 820.18
    cyclohexanone 1041.35
    propylene glycol 487.88
    isopropyl acetate 387.58
    DMAc 425.61
    2-ethoxyethanol 756.51
    isopentanol 1387.56
    n-heptane 571.91
    ethyl formate 395.53
    1,2-dichloroethane 561.86
    n-hexanol 2135.3
    2-methoxyethanol 1243.63
    isobutyl acetate 361.07
    tetrachloromethane 284.57
    n-pentyl acetate 397.06
    transcutol 1709.89
    n-heptanol 622.37
    ethylbenzene 160.53
    MIBK 449.3
    2-propoxyethanol 1497.77
    tert-butanol 2079.48
    MTBE 1188.77
    2-butoxyethanol 650.39
    propionic acid 673.82
    o-xylene 151.15
    formic acid 184.67
    diethyl ether 1132.15
    m-xylene 179.79
    p-xylene 201.57
    chlorobenzene 306.38
    dimethyl carbonate 87.25
    n-octane 130.07
    formamide 158.52
    cyclopentanone 931.73
    2-pentanone 732.58
    anisole 261.72
    cyclopentyl methyl ether 874.47
    gamma-butyrolactone 785.96
    1-methoxy-2-propanol 1009.69
    pyridine 707.94
    3-pentanone 378.42
    furfural 565.69
    n-dodecane 73.51
    diethylene glycol 727.65
    diisopropyl ether 357.97
    tert-amyl alcohol 1331.84
    acetylacetone 402.11
    n-hexadecane 80.37
    acetophenone 219.57
    methyl propionate 342.31
    isopentyl acetate 811.58
    trichloroethylene 768.69
    n-nonanol 447.79
    cyclohexanol 1159.15
    benzyl alcohol 285.28
    2-ethylhexanol 1111.4
    isooctanol 464.88
    dipropyl ether 1165.61
    1,2-dichlorobenzene 241.43
    ethyl lactate 198.12
    propylene carbonate 448.01
    n-methylformamide 419.55
    2-pentanol 1205.61
    n-pentane 529.49
    1-propoxy-2-propanol 1235.41
    1-methoxy-2-propyl acetate 498.82
    2-(2-methoxypropoxy) propanol 436.57
    mesitylene 141.99
    ε-caprolactone 732.77
    p-cymene 184.2
    epichlorohydrin 827.94
    1,1,1-trichloroethane 554.1
    2-aminoethanol 645.51
    morpholine-4-carbaldehyde 619.62
    sulfolane 795.51
    2,2,4-trimethylpentane 151.95
    2-methyltetrahydrofuran 1566.23
    n-hexyl acetate 550.59
    isooctane 154.99
    2-(2-butoxyethoxy)ethanol 652.78
    sec-butyl acetate 320.18
    tert-butyl acetate 417.32
    decalin 162.96
    glycerin 476.28
    diglyme 920.46
    acrylic acid 391.58
    isopropyl myristate 224.6
    n-butyric acid 1215.73
    acetyl acetate 231.82
    di(2-ethylhexyl) phthalate 186.92
    ethyl propionate 315.11
    nitromethane 561.32
    1,2-diethoxyethane 777.7
    benzonitrile 365.7
    trioctyl phosphate 172.55
    1-bromopropane 764.0
    gamma-valerolactone 928.92
    n-decanol 330.08
    triethyl phosphate 173.29
    4-methyl-2-pentanol 588.44
    propionitrile 695.28
    vinylene carbonate 338.11
    1,1,2-trichlorotrifluoroethane 540.13
    DMS 214.0
    cumene 133.3
    2-octanol 392.61
    2-hexanone 663.59
    octyl acetate 267.81
    limonene 390.14
    1,2-dimethoxyethane 1180.76
    ethyl orthosilicate 199.52
    tributyl phosphate 196.05
    diacetone alcohol 483.59
    N,N-dimethylaniline 191.66
    acrylonitrile 500.1
    aniline 340.94
    1,3-propanediol 945.23
    bromobenzene 288.61
    dibromomethane 744.81
    1,1,2,2-tetrachloroethane 716.6
    2-methyl-cyclohexyl acetate 381.69
    tetrabutyl urea 243.69
    diisobutyl methanol 458.28
    2-phenylethanol 431.83
    styrene 200.23
    dioctyl adipate 261.66
    dimethyl sulfate 128.25
    ethyl butyrate 555.74
    methyl lactate 202.18
    butyl lactate 318.56
    diethyl carbonate 279.84
    propanediol butyl ether 570.54
    triethyl orthoformate 387.4
    p-tert-butyltoluene 187.12
    methyl 4-tert-butylbenzoate 249.97
    morpholine 1572.77
    tert-butylamine 1582.48
    n-dodecanol 251.27
    dimethoxymethane 542.32
    ethylene carbonate 338.45
    cyrene 281.77
    2-ethoxyethyl acetate 356.35
    2-ethylhexyl acetate 618.67
    1,2,4-trichlorobenzene 259.4
    4-methylpyridine 616.23
    dibutyl ether 666.47
    2,6-dimethyl-4-heptanol 458.28
    DEF 541.87
    dimethyl isosorbide 556.5
    tetrachloroethylene 580.1
    eugenol 267.69
    triacetin 300.82
    span 80 515.0
    1,4-butanediol 371.37
    1,1-dichloroethane 773.48
    2-methyl-1-pentanol 862.03
    methyl formate 236.11
    2-methyl-1-butanol 1205.21
    n-decane 137.76
    butyronitrile 1044.1
    3,7-dimethyl-1-octanol 516.06
    1-chlorooctane 316.51
    1-chlorotetradecane 122.23
    n-nonane 154.8
    undecane 96.61
    tert-butylcyclohexane 170.9
    cyclooctane 178.32
    cyclopentanol 1195.33
    tetrahydropyran 2004.91
    tert-amyl methyl ether 659.3
    2,5,8-trioxanonane 638.21
    1-hexene 1201.31
    2-isopropoxyethanol 568.84
    2,2,2-trifluoroethanol 129.64
    methyl butyrate 500.64

    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