2-Hepten-1-ol, 2-methyl-6-(4-methylphenyl)-, (E)-

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  • Identifiers

    CAS number
    39599-18-3

    Molecular formula
    C15H22O

    SMILES
    CC1=CC=C(C=C1)C(C)CCC=C(C)CO

    Safety labels

  • Odor profile

    Fragrance
    Floral 87.46%
    Green 56.52%
    Muguet 52.69%
    Lily 51.22%
    Fresh 48.14%
    Rose 44.46%
    Waxy 43.1%
    Aldehydic 37.17%
    Sweet 35.18%
    Balsamic 32.95%

     

    Flavor
    Floral 67.89%
    Herbal 45.75%
    Woody 40.9%
    Fresh 40.25%
    Spicy 39.45%
    Green 36.43%
    Citrus 35.54%
    Sweet 34.93%
    Balsam 32.61%
    Waxy 32.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.29 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 143.3 ˚C est.

  • Synonyms

    • 2-Hepten-1-ol, 2-methyl-6-(4-methylphenyl)-, (E)-
    • 39599-18-3
    • DTXSID30341938
    • RefChem:261376
    • DTXCID20293018
    • 2-methyl-6-(4-methylphenyl)hept-2-en-1-ol
    • SCHEMBL17785040
    • 39599-18-3

  • Applications

    2-Hepten-1-ol, 2-methyl-6-(4-methylphenyl)-, (E)- (CAS 39599-18-3) is commonly used as a fragrance ingredient in perfumery and cosmetics/personal care, providing odor notes and potentially acting as a fixative in fragrance formulations. It also serves as an intermediate or building block for more complex aroma compounds in industrial manufacturing and R&D. In household care applications, it may appear as a fragrance component in cleaning and air-freshening products, subject to local regulations and usage limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2931.97
    methanol 1625.5
    isopropanol 1729.81
    water 0.17
    ethyl acetate 3953.57
    n-propanol 2337.6
    acetone 1055.24
    n-butanol 2112.1
    acetonitrile 1484.88
    DMF 326.33
    toluene 767.37
    isobutanol 1088.98
    1,4-dioxane 4033.44
    methyl acetate 1651.18
    THF 2201.13
    2-butanone 1763.62
    n-pentanol 1101.27
    sec-butanol 1407.75
    n-hexane 109.57
    ethylene glycol 71.16
    NMP 101.34
    cyclohexane 180.88
    DMSO 473.51
    n-butyl acetate 1323.54
    n-octanol 186.09
    chloroform 2071.6
    n-propyl acetate 1174.11
    acetic acid 479.24
    dichloromethane 2024.93
    cyclohexanone 1012.82
    propylene glycol 241.98
    isopropyl acetate 1363.51
    DMAc 395.73
    2-ethoxyethanol 1479.5
    isopentanol 1288.13
    n-heptane 70.82
    ethyl formate 806.76
    1,2-dichloroethane 1472.75
    n-hexanol 1122.37
    2-methoxyethanol 2020.41
    isobutyl acetate 538.45
    tetrachloromethane 243.66
    n-pentyl acetate 421.2
    transcutol 4128.44
    n-heptanol 281.87
    ethylbenzene 262.72
    MIBK 652.43
    2-propoxyethanol 1512.35
    tert-butanol 1663.18
    MTBE 2646.01
    2-butoxyethanol 583.23
    propionic acid 497.29
    o-xylene 247.56
    formic acid 95.64
    diethyl ether 5031.14
    m-xylene 355.05
    p-xylene 229.63
    chlorobenzene 441.76
    dimethyl carbonate 190.36
    n-octane 23.65
    formamide 249.38
    cyclopentanone 624.33
    2-pentanone 1691.05
    anisole 628.28
    cyclopentyl methyl ether 899.01
    gamma-butyrolactone 613.86
    1-methoxy-2-propanol 1335.81
    pyridine 1495.99
    3-pentanone 1013.06
    furfural 526.22
    n-dodecane 12.9
    diethylene glycol 518.56
    diisopropyl ether 618.99
    tert-amyl alcohol 1156.38
    acetylacetone 849.3
    n-hexadecane 15.35
    acetophenone 350.92
    methyl propionate 1232.33
    isopentyl acetate 943.82
    trichloroethylene 1850.67
    n-nonanol 172.5
    cyclohexanol 674.92
    benzyl alcohol 399.55
    2-ethylhexanol 478.26
    isooctanol 223.71
    dipropyl ether 1216.1
    1,2-dichlorobenzene 295.41
    ethyl lactate 190.04
    propylene carbonate 368.09
    n-methylformamide 398.86
    2-pentanol 1286.78
    n-pentane 124.81
    1-propoxy-2-propanol 1049.08
    1-methoxy-2-propyl acetate 930.03
    2-(2-methoxypropoxy) propanol 396.71
    mesitylene 185.98
    ε-caprolactone 880.09
    p-cymene 134.37
    epichlorohydrin 1568.73
    1,1,1-trichloroethane 942.1
    2-aminoethanol 392.7
    morpholine-4-carbaldehyde 598.01
    sulfolane 313.01
    2,2,4-trimethylpentane 53.95
    2-methyltetrahydrofuran 1705.35
    n-hexyl acetate 459.03
    isooctane 53.65
    2-(2-butoxyethoxy)ethanol 732.03
    sec-butyl acetate 709.99
    tert-butyl acetate 927.38
    decalin 57.11
    glycerin 216.03
    diglyme 1506.25
    acrylic acid 213.37
    isopropyl myristate 150.82
    n-butyric acid 1413.08
    acetyl acetate 729.76
    di(2-ethylhexyl) phthalate 111.96
    ethyl propionate 862.15
    nitromethane 808.27
    1,2-diethoxyethane 2220.83
    benzonitrile 399.85
    trioctyl phosphate 77.51
    1-bromopropane 1262.87
    gamma-valerolactone 1140.78
    n-decanol 119.1
    triethyl phosphate 167.87
    4-methyl-2-pentanol 450.79
    propionitrile 1352.83
    vinylene carbonate 330.56
    1,1,2-trichlorotrifluoroethane 487.71
    DMS 275.03
    cumene 148.27
    2-octanol 156.76
    2-hexanone 934.42
    octyl acetate 176.62
    limonene 209.45
    1,2-dimethoxyethane 2398.8
    ethyl orthosilicate 207.07
    tributyl phosphate 106.6
    diacetone alcohol 649.5
    N,N-dimethylaniline 244.58
    acrylonitrile 835.79
    aniline 596.05
    1,3-propanediol 869.92
    bromobenzene 471.16
    dibromomethane 1380.73
    1,1,2,2-tetrachloroethane 1291.21
    2-methyl-cyclohexyl acetate 323.85
    tetrabutyl urea 115.58
    diisobutyl methanol 232.52
    2-phenylethanol 432.12
    styrene 335.09
    dioctyl adipate 196.05
    dimethyl sulfate 136.92
    ethyl butyrate 946.47
    methyl lactate 197.85
    butyl lactate 221.68
    diethyl carbonate 418.15
    propanediol butyl ether 317.67
    triethyl orthoformate 477.18
    p-tert-butyltoluene 134.72
    methyl 4-tert-butylbenzoate 238.21
    morpholine 4654.76
    tert-butylamine 1090.43
    n-dodecanol 87.16
    dimethoxymethane 1204.04
    ethylene carbonate 360.03
    cyrene 201.01
    2-ethoxyethyl acetate 756.15
    2-ethylhexyl acetate 628.55
    1,2,4-trichlorobenzene 315.46
    4-methylpyridine 1144.64
    dibutyl ether 519.18
    2,6-dimethyl-4-heptanol 232.52
    DEF 998.71
    dimethyl isosorbide 538.99
    tetrachloroethylene 758.06
    eugenol 243.16
    triacetin 327.31
    span 80 289.87
    1,4-butanediol 233.22
    1,1-dichloroethane 1531.15
    2-methyl-1-pentanol 759.83
    methyl formate 219.69
    2-methyl-1-butanol 1093.25
    n-decane 27.28
    butyronitrile 1648.96
    3,7-dimethyl-1-octanol 236.07
    1-chlorooctane 134.01
    1-chlorotetradecane 42.58
    n-nonane 27.55
    undecane 17.65
    tert-butylcyclohexane 63.56
    cyclooctane 52.98
    cyclopentanol 394.28
    tetrahydropyran 3983.28
    tert-amyl methyl ether 1122.44
    2,5,8-trioxanonane 769.67
    1-hexene 621.11
    2-isopropoxyethanol 797.47
    2,2,2-trifluoroethanol 75.78
    methyl butyrate 1032.95

    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