4-Methyl-1-hepten-4-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1186-31-8

    Molecular formula
    C8H16O

    SMILES
    CCCC(C)(CC=C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 58.53%
    Green 58.02%
    Fruity 57.6%
    Herbal 51.17%
    Fresh 46.61%
    Earthy 46.4%
    Citrus 37.71%
    Sweet 35.13%
    Woody 34.52%
    Lavender 29.06%

     

    Flavor
    Floral 52.66%
    Green 52.5%
    Woody 41.96%
    Sweet 38.46%
    Tropical 37.91%
    Oily 36.57%
    Herbal 36.03%
    Fresh 32.73%
    Earthy 31.53%
    Citrus 28.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.3 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    154°C

    Flash point

    • 55.64 ˚C est.

  • Synonyms

    • 4-Methyl-1-hepten-4-ol
    • 1186-31-8
    • 1-Hepten-4-ol, 4-methyl-
    • RefChem:99700
    • 654-783-4
    • PYKQMQBNPLNLPS-UHFFFAOYSA-N
    • 4-methylhept-1-en-4-ol
    • MFCD00021838
    • 4-methyl-hept-1-en-4-ol
    • Allylmethylpropylcarbinol
    • SCHEMBL9451200
    • SCHEMBL28286039
    • DTXSID10922729
    • CS-0366629
    • 1186-31-8

  • Applications

    4-Methyl-1-hepten-4-ol (CAS 1186-31-8) may be used as a fragrance ingredient and as an intermediate in the synthesis of aroma chemicals, with relevance across several industries. In perfumery, it can serve as a fragrance note or as a building block for more complex aroma compounds. In cosmetics and personal care, it may be employed as a fragrance component. In household products and cleaners, it may contribute to scent profiles. For the food sector, it may be considered as a flavor/aroma ingredient or intermediate where permitted by regulation. Additionally, it is employed as a starting material in industrial manufacturing of aroma materials and as a target for research and development in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1249.41
    methanol 1594.37
    isopropanol 1031.27
    water 3.52
    ethyl acetate 333.23
    n-propanol 1013.56
    acetone 420.99
    n-butanol 1033.94
    acetonitrile 324.37
    DMF 417.47
    toluene 167.64
    isobutanol 772.74
    1,4-dioxane 994.12
    methyl acetate 285.09
    THF 1448.06
    2-butanone 373.88
    n-pentanol 708.76
    sec-butanol 932.39
    n-hexane 594.79
    ethylene glycol 219.58
    NMP 423.81
    cyclohexane 494.01
    DMSO 427.58
    n-butyl acetate 557.69
    n-octanol 569.65
    chloroform 635.1
    n-propyl acetate 244.07
    acetic acid 422.57
    dichloromethane 412.17
    cyclohexanone 618.4
    propylene glycol 363.9
    isopropyl acetate 239.33
    DMAc 329.53
    2-ethoxyethanol 505.54
    isopentanol 795.16
    n-heptane 659.67
    ethyl formate 230.33
    1,2-dichloroethane 253.55
    n-hexanol 1666.29
    2-methoxyethanol 839.15
    isobutyl acetate 201.78
    tetrachloromethane 181.69
    n-pentyl acetate 280.52
    transcutol 1115.64
    n-heptanol 549.18
    ethylbenzene 132.15
    MIBK 287.49
    2-propoxyethanol 1095.93
    tert-butanol 1170.58
    MTBE 769.99
    2-butoxyethanol 499.77
    propionic acid 395.95
    o-xylene 144.02
    formic acid 155.18
    diethyl ether 767.0
    m-xylene 156.77
    p-xylene 167.83
    chlorobenzene 165.11
    dimethyl carbonate 69.21
    n-octane 157.11
    formamide 109.01
    cyclopentanone 499.59
    2-pentanone 378.78
    anisole 200.3
    cyclopentyl methyl ether 622.68
    gamma-butyrolactone 453.62
    1-methoxy-2-propanol 630.11
    pyridine 313.48
    3-pentanone 256.37
    furfural 338.21
    n-dodecane 96.82
    diethylene glycol 594.02
    diisopropyl ether 278.7
    tert-amyl alcohol 904.13
    acetylacetone 228.62
    n-hexadecane 103.06
    acetophenone 154.73
    methyl propionate 224.6
    isopentyl acetate 482.89
    trichloroethylene 329.46
    n-nonanol 455.57
    cyclohexanol 767.13
    benzyl alcohol 191.95
    2-ethylhexanol 832.52
    isooctanol 397.72
    dipropyl ether 791.76
    1,2-dichlorobenzene 142.64
    ethyl lactate 142.87
    propylene carbonate 287.24
    n-methylformamide 238.73
    2-pentanol 703.76
    n-pentane 496.79
    1-propoxy-2-propanol 833.88
    1-methoxy-2-propyl acetate 352.22
    2-(2-methoxypropoxy) propanol 405.43
    mesitylene 126.68
    ε-caprolactone 476.56
    p-cymene 172.5
    epichlorohydrin 441.82
    1,1,1-trichloroethane 282.4
    2-aminoethanol 455.86
    morpholine-4-carbaldehyde 512.61
    sulfolane 445.7
    2,2,4-trimethylpentane 180.46
    2-methyltetrahydrofuran 980.22
    n-hexyl acetate 479.38
    isooctane 149.32
    2-(2-butoxyethoxy)ethanol 558.94
    sec-butyl acetate 181.09
    tert-butyl acetate 295.02
    decalin 169.61
    glycerin 371.53
    diglyme 671.17
    acrylic acid 223.97
    isopropyl myristate 210.9
    n-butyric acid 592.69
    acetyl acetate 149.23
    di(2-ethylhexyl) phthalate 178.87
    ethyl propionate 187.66
    nitromethane 313.54
    1,2-diethoxyethane 467.78
    benzonitrile 221.09
    trioctyl phosphate 171.76
    1-bromopropane 401.96
    gamma-valerolactone 590.87
    n-decanol 336.58
    triethyl phosphate 137.24
    4-methyl-2-pentanol 412.3
    propionitrile 377.24
    vinylene carbonate 222.38
    1,1,2-trichlorotrifluoroethane 327.07
    DMS 168.91
    cumene 121.15
    2-octanol 385.45
    2-hexanone 358.87
    octyl acetate 259.95
    limonene 370.03
    1,2-dimethoxyethane 801.83
    ethyl orthosilicate 158.29
    tributyl phosphate 185.48
    diacetone alcohol 370.41
    N,N-dimethylaniline 166.44
    acrylonitrile 247.55
    aniline 203.41
    1,3-propanediol 581.15
    bromobenzene 149.53
    dibromomethane 390.84
    1,1,2,2-tetrachloroethane 338.52
    2-methyl-cyclohexyl acetate 300.13
    tetrabutyl urea 238.93
    diisobutyl methanol 370.19
    2-phenylethanol 343.08
    styrene 129.15
    dioctyl adipate 236.78
    dimethyl sulfate 95.88
    ethyl butyrate 302.1
    methyl lactate 150.54
    butyl lactate 238.09
    diethyl carbonate 171.43
    propanediol butyl ether 478.85
    triethyl orthoformate 249.05
    p-tert-butyltoluene 182.71
    methyl 4-tert-butylbenzoate 238.28
    morpholine 1051.18
    tert-butylamine 962.24
    n-dodecanol 266.92
    dimethoxymethane 379.45
    ethylene carbonate 223.02
    cyrene 253.64
    2-ethoxyethyl acetate 248.23
    2-ethylhexyl acetate 404.86
    1,2,4-trichlorobenzene 164.18
    4-methylpyridine 335.82
    dibutyl ether 496.4
    2,6-dimethyl-4-heptanol 370.19
    DEF 325.7
    dimethyl isosorbide 520.98
    tetrachloroethylene 247.9
    eugenol 230.29
    triacetin 261.78
    span 80 471.54
    1,4-butanediol 271.91
    1,1-dichloroethane 324.14
    2-methyl-1-pentanol 577.14
    methyl formate 157.17
    2-methyl-1-butanol 761.25
    n-decane 172.82
    butyronitrile 542.54
    3,7-dimethyl-1-octanol 490.83
    1-chlorooctane 307.5
    1-chlorotetradecane 133.02
    n-nonane 194.02
    undecane 124.6
    tert-butylcyclohexane 193.18
    cyclooctane 194.18
    cyclopentanol 698.89
    tetrahydropyran 1199.24
    tert-amyl methyl ether 555.54
    2,5,8-trioxanonane 531.79
    1-hexene 729.73
    2-isopropoxyethanol 381.53
    2,2,2-trifluoroethanol 92.39
    methyl butyrate 263.26

    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