Hept-4-en-2-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    66642-85-1

    Molecular formula
    C7H14O

    SMILES
    CCC=CCC(C)O

    Retention indicies (RI)

    • Carbowax: 1302.0

  • Odor profile

    Green 94.6%
    Fruity 65.83%
    Fatty 62.47%
    Vegetable 61.29%
    Earthy 59.26%
    Oily 54.27%
    Melon 54.02%
    Fresh 51.3%
    Mushroom 51.1%
    Leafy 50.81%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    156°C

    Flash point est.
    61.12 ˚C

  • Synonyms

    • 66642-85-1
    • 4-Hepten-2-ol
    • Hept-4-en-2-ol
    • DTXSID40985226
    • DS-015967

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1400.27
    methanol 1032.87
    isopropanol 1220.23
    water 1.46
    ethyl acetate 303.29
    n-propanol 1079.81
    acetone 539.82
    n-butanol 1125.69
    acetonitrile 330.37
    DMF 483.68
    toluene 134.14
    isobutanol 757.26
    1,4-dioxane 769.33
    methyl acetate 264.3
    THF 1339.67
    2-butanone 389.0
    n-pentanol 610.8
    sec-butanol 902.02
    n-hexane 319.32
    ethylene glycol 258.91
    NMP 372.82
    cyclohexane 335.37
    DMSO 745.34
    n-butyl acetate 447.75
    n-octanol 375.8
    chloroform 766.09
    n-propyl acetate 202.75
    acetic acid 514.17
    dichloromethane 538.95
    cyclohexanone 548.59
    propylene glycol 482.37
    isopropyl acetate 188.26
    DMAc 273.82
    2-ethoxyethanol 445.01
    isopentanol 725.52
    n-heptane 418.52
    ethyl formate 210.3
    1,2-dichloroethane 302.74
    n-hexanol 1195.02
    2-methoxyethanol 867.3
    isobutyl acetate 144.51
    tetrachloromethane 178.88
    n-pentyl acetate 200.99
    transcutol 1019.35
    n-heptanol 391.64
    ethylbenzene 85.52
    MIBK 210.27
    2-propoxyethanol 870.56
    tert-butanol 1109.68
    MTBE 516.83
    2-butoxyethanol 399.25
    propionic acid 447.5
    o-xylene 96.41
    formic acid 124.07
    diethyl ether 569.76
    m-xylene 109.46
    p-xylene 103.17
    chlorobenzene 146.32
    dimethyl carbonate 60.23
    n-octane 84.34
    formamide 117.07
    cyclopentanone 564.25
    2-pentanone 372.35
    anisole 156.59
    cyclopentyl methyl ether 499.86
    gamma-butyrolactone 467.77
    1-methoxy-2-propanol 684.5
    pyridine 361.99
    3-pentanone 208.66
    furfural 335.8
    n-dodecane 52.92
    diethylene glycol 530.35
    diisopropyl ether 169.38
    tert-amyl alcohol 701.38
    acetylacetone 235.78
    n-hexadecane 56.3
    acetophenone 124.5
    methyl propionate 205.35
    isopentyl acetate 349.66
    trichloroethylene 433.11
    n-nonanol 287.63
    cyclohexanol 728.49
    benzyl alcohol 160.29
    2-ethylhexanol 586.22
    isooctanol 260.18
    dipropyl ether 609.86
    1,2-dichlorobenzene 124.89
    ethyl lactate 116.82
    propylene carbonate 253.58
    n-methylformamide 252.12
    2-pentanol 684.66
    n-pentane 313.69
    1-propoxy-2-propanol 701.95
    1-methoxy-2-propyl acetate 281.82
    2-(2-methoxypropoxy) propanol 301.82
    mesitylene 78.74
    ε-caprolactone 413.54
    p-cymene 116.14
    epichlorohydrin 460.89
    1,1,1-trichloroethane 312.62
    2-aminoethanol 551.31
    morpholine-4-carbaldehyde 427.15
    sulfolane 523.81
    2,2,4-trimethylpentane 90.03
    2-methyltetrahydrofuran 891.44
    n-hexyl acetate 314.81
    isooctane 81.11
    2-(2-butoxyethoxy)ethanol 442.42
    sec-butyl acetate 128.85
    tert-butyl acetate 197.97
    decalin 89.22
    glycerin 430.31
    diglyme 575.62
    acrylic acid 278.03
    isopropyl myristate 138.42
    n-butyric acid 683.85
    acetyl acetate 128.78
    di(2-ethylhexyl) phthalate 128.41
    ethyl propionate 151.56
    nitromethane 350.95
    1,2-diethoxyethane 387.98
    benzonitrile 189.39
    trioctyl phosphate 121.15
    1-bromopropane 414.03
    gamma-valerolactone 539.44
    n-decanol 212.22
    triethyl phosphate 107.93
    4-methyl-2-pentanol 294.18
    propionitrile 364.07
    vinylene carbonate 199.6
    1,1,2-trichlorotrifluoroethane 369.94
    DMS 131.05
    cumene 69.7
    2-octanol 240.09
    2-hexanone 269.77
    octyl acetate 179.09
    limonene 256.39
    1,2-dimethoxyethane 604.99
    ethyl orthosilicate 121.53
    tributyl phosphate 133.64
    diacetone alcohol 288.75
    N,N-dimethylaniline 119.58
    acrylonitrile 280.8
    aniline 207.51
    1,3-propanediol 657.75
    bromobenzene 136.82
    dibromomethane 469.55
    1,1,2,2-tetrachloroethane 407.16
    2-methyl-cyclohexyl acetate 205.07
    tetrabutyl urea 165.64
    diisobutyl methanol 245.41
    2-phenylethanol 243.54
    styrene 101.76
    dioctyl adipate 184.01
    dimethyl sulfate 90.22
    ethyl butyrate 261.82
    methyl lactate 148.07
    butyl lactate 191.09
    diethyl carbonate 144.85
    propanediol butyl ether 422.04
    triethyl orthoformate 201.69
    p-tert-butyltoluene 120.86
    methyl 4-tert-butylbenzoate 173.23
    morpholine 1004.36
    tert-butylamine 841.33
    n-dodecanol 168.72
    dimethoxymethane 329.37
    ethylene carbonate 186.54
    cyrene 191.74
    2-ethoxyethyl acetate 199.21
    2-ethylhexyl acetate 280.0
    1,2,4-trichlorobenzene 147.02
    4-methylpyridine 306.73
    dibutyl ether 353.1
    2,6-dimethyl-4-heptanol 245.41
    DEF 303.48
    dimethyl isosorbide 380.57
    tetrachloroethylene 280.03
    eugenol 177.09
    triacetin 211.11
    span 80 401.76
    1,4-butanediol 256.72
    1,1-dichloroethane 391.56
    2-methyl-1-pentanol 400.09
    methyl formate 147.06
    2-methyl-1-butanol 653.48
    n-decane 89.07
    butyronitrile 539.68
    3,7-dimethyl-1-octanol 299.8
    1-chlorooctane 192.11
    1-chlorotetradecane 82.02
    n-nonane 100.76
    undecane 64.87
    tert-butylcyclohexane 94.38
    cyclooctane 110.79
    cyclopentanol 798.76
    tetrahydropyran 1046.46
    tert-amyl methyl ether 346.64
    2,5,8-trioxanonane 438.45
    1-hexene 510.71
    2-isopropoxyethanol 305.69
    2,2,2-trifluoroethanol 95.95
    methyl butyrate 224.2

    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

Botanical

Name CAS Botanical Proportion
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 1.1%