2-Hepten-4-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4798-59-8

    Molecular formula
    C7H14O

    SMILES
    CCCC(/C=C/C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 76.34%
    Green 70.82%
    Earthy 50.54%
    Pungent 44.62%
    Mushroom 43.09%
    Sweet 42.7%
    Ethereal 42.45%
    Metallic 40.23%
    Vegetable 39.37%
    Herbal 38.92%

     

    Flavor
    Green 84.65%
    Fruity 44.33%
    Herbal 37.78%
    Vegetable 36.54%
    Ethereal 36.5%
    Oily 34.13%
    Sweet 34.03%
    Spicy 33.56%
    Earthy 33.56%
    Pungent 31.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.82 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    157°C

    Flash point

    • 56.78 ˚C est.

  • Synonyms

    • 2-Hepten-4-ol
    • 4798-59-8
    • RefChem:87250
    • 620-588-8
    • DODCYMXUZOEOQF-HWKANZROSA-N
    • hept-2-en-4-ol
    • (E)-hept-2-en-4-ol
    • (2E)-2-Hepten-4-ol
    • MFCD00021932
    • (2E)-2-Hepten-4-ol #
    • SCHEMBL3418051
    • SCHEMBL3418367
    • 2-Hepten-4-ol, (E)+(Z)
    • AKOS006227992
    • AS-76310
    • 4798-59-8

  • Applications

    2-Hepten-4-ol (CAS 4798-59-8) is used primarily as an intermediate and fragrance ingredient in the fragrance and cosmetics industries, serving as a building block for the synthesis of complex aroma compounds and potentially acting as an odorant component within fragrance formulations; it also serves as a reference starting material in aroma-chemical R&D for personal care and household products. In industrial manufacturing, it may be used as an intermediate for the synthesis of other aroma chemicals and for related fragrance processes. Its use is subject to local regulations and formulation and safety limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3224.65
    methanol 3006.02
    isopropanol 2523.39
    water 1.48
    ethyl acetate 685.04
    n-propanol 2296.3
    acetone 1149.93
    n-butanol 2192.44
    acetonitrile 1087.78
    DMF 935.46
    toluene 256.25
    isobutanol 1632.98
    1,4-dioxane 1698.98
    methyl acetate 597.81
    THF 2770.85
    2-butanone 808.24
    n-pentanol 1398.42
    sec-butanol 1828.18
    n-hexane 798.92
    ethylene glycol 337.11
    NMP 774.61
    cyclohexane 828.87
    DMSO 1410.3
    n-butyl acetate 1220.59
    n-octanol 736.62
    chloroform 2051.04
    n-propyl acetate 573.72
    acetic acid 1175.66
    dichloromethane 1629.48
    cyclohexanone 1243.53
    propylene glycol 583.39
    isopropyl acetate 388.76
    DMAc 394.05
    2-ethoxyethanol 810.02
    isopentanol 1382.85
    n-heptane 826.38
    ethyl formate 575.64
    1,2-dichloroethane 864.4
    n-hexanol 2352.68
    2-methoxyethanol 1414.13
    isobutyl acetate 363.1
    tetrachloromethane 467.71
    n-pentyl acetate 474.78
    transcutol 1632.86
    n-heptanol 757.59
    ethylbenzene 176.33
    MIBK 395.76
    2-propoxyethanol 1529.68
    tert-butanol 2045.68
    MTBE 1077.15
    2-butoxyethanol 749.65
    propionic acid 974.0
    o-xylene 153.16
    formic acid 276.51
    diethyl ether 1328.26
    m-xylene 183.06
    p-xylene 227.49
    chlorobenzene 431.58
    dimethyl carbonate 107.14
    n-octane 183.5
    formamide 274.5
    cyclopentanone 1216.8
    2-pentanone 785.59
    anisole 304.31
    cyclopentyl methyl ether 996.59
    gamma-butyrolactone 1130.93
    1-methoxy-2-propanol 1003.25
    pyridine 931.03
    3-pentanone 422.44
    furfural 732.31
    n-dodecane 110.87
    diethylene glycol 756.94
    diisopropyl ether 357.73
    tert-amyl alcohol 1267.45
    acetylacetone 405.0
    n-hexadecane 119.79
    acetophenone 246.01
    methyl propionate 431.22
    isopentyl acetate 865.11
    trichloroethylene 1171.96
    n-nonanol 567.89
    cyclohexanol 1421.72
    benzyl alcohol 328.06
    2-ethylhexanol 1226.08
    isooctanol 526.08
    dipropyl ether 1267.47
    1,2-dichlorobenzene 333.76
    ethyl lactate 207.89
    propylene carbonate 595.02
    n-methylformamide 630.44
    2-pentanol 1373.66
    n-pentane 721.12
    1-propoxy-2-propanol 1276.41
    1-methoxy-2-propyl acetate 486.59
    2-(2-methoxypropoxy) propanol 425.7
    mesitylene 135.51
    ε-caprolactone 883.27
    p-cymene 216.11
    epichlorohydrin 1095.92
    1,1,1-trichloroethane 777.67
    2-aminoethanol 833.9
    morpholine-4-carbaldehyde 720.2
    sulfolane 1138.79
    2,2,4-trimethylpentane 175.2
    2-methyltetrahydrofuran 1977.33
    n-hexyl acetate 671.67
    isooctane 171.17
    2-(2-butoxyethoxy)ethanol 677.45
    sec-butyl acetate 315.14
    tert-butyl acetate 374.87
    decalin 191.61
    glycerin 525.3
    diglyme 964.9
    acrylic acid 574.76
    isopropyl myristate 271.53
    n-butyric acid 1516.88
    acetyl acetate 251.28
    di(2-ethylhexyl) phthalate 216.86
    ethyl propionate 357.52
    nitromethane 910.19
    1,2-diethoxyethane 812.34
    benzonitrile 497.84
    trioctyl phosphate 210.81
    1-bromopropane 1104.37
    gamma-valerolactone 1130.66
    n-decanol 413.98
    triethyl phosphate 187.97
    4-methyl-2-pentanol 531.35
    propionitrile 1010.22
    vinylene carbonate 475.67
    1,1,2-trichlorotrifluoroethane 656.43
    DMS 224.8
    cumene 142.23
    2-octanol 511.36
    2-hexanone 701.73
    octyl acetate 342.04
    limonene 482.11
    1,2-dimethoxyethane 1277.69
    ethyl orthosilicate 210.74
    tributyl phosphate 236.19
    diacetone alcohol 460.88
    N,N-dimethylaniline 212.17
    acrylonitrile 798.2
    aniline 416.44
    1,3-propanediol 1117.26
    bromobenzene 411.58
    dibromomethane 1428.87
    1,1,2,2-tetrachloroethane 1039.04
    2-methyl-cyclohexyl acetate 402.11
    tetrabutyl urea 289.41
    diisobutyl methanol 477.99
    2-phenylethanol 458.66
    styrene 235.21
    dioctyl adipate 318.15
    dimethyl sulfate 153.8
    ethyl butyrate 642.59
    methyl lactate 217.5
    butyl lactate 355.11
    diethyl carbonate 315.37
    propanediol butyl ether 640.59
    triethyl orthoformate 409.93
    p-tert-butyltoluene 211.03
    methyl 4-tert-butylbenzoate 286.61
    morpholine 2040.89
    tert-butylamine 1605.42
    n-dodecanol 318.57
    dimethoxymethane 606.73
    ethylene carbonate 454.18
    cyrene 289.27
    2-ethoxyethyl acetate 384.69
    2-ethylhexyl acetate 642.52
    1,2,4-trichlorobenzene 353.68
    4-methylpyridine 775.51
    dibutyl ether 815.85
    2,6-dimethyl-4-heptanol 477.99
    DEF 622.11
    dimethyl isosorbide 603.63
    tetrachloroethylene 738.54
    eugenol 302.05
    triacetin 340.02
    span 80 578.49
    1,4-butanediol 456.4
    1,1-dichloroethane 1119.89
    2-methyl-1-pentanol 892.49
    methyl formate 383.34
    2-methyl-1-butanol 1311.59
    n-decane 193.96
    butyronitrile 1529.61
    3,7-dimethyl-1-octanol 596.99
    1-chlorooctane 447.96
    1-chlorotetradecane 174.53
    n-nonane 226.58
    undecane 139.51
    tert-butylcyclohexane 211.53
    cyclooctane 224.77
    cyclopentanol 1501.84
    tetrahydropyran 2449.28
    tert-amyl methyl ether 627.43
    2,5,8-trioxanonane 665.57
    1-hexene 1328.39
    2-isopropoxyethanol 544.99
    2,2,2-trifluoroethanol 188.21
    methyl butyrate 590.0

    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