6-Hepten-3-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    19781-77-2

    Molecular formula
    C7H14O

    SMILES
    CCC(CCC=C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 78.73%
    Fruity 75.34%
    Earthy 62.58%
    Mushroom 59.12%
    Herbal 47.48%
    Cheesy 46.35%
    Metallic 43.66%
    Vegetable 43.31%
    Oily 40.04%
    Musty 36.11%

     

    Flavor
    Green 48.83%
    Oily 33.74%
    Herbal 30.85%
    Mushroom 30.57%
    Fresh 30.38%
    Earthy 28.66%
    Vegetable 28.64%
    Bitter 28.33%
    Fishy 28.28%
    Spicy 28.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.55 (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

    • 52.06 ˚C est.

  • Synonyms

    • 6-Hepten-3-ol
    • 19781-77-2
    • RefChem:104673
    • XFXWEAWJVWCOBF-UHFFFAOYSA-N
    • hept-6-en-3-ol
    • MFCD00046683
    • 3-Butenyl ethyl carbinol
    • Allylmethylathylcarbinol
    • SCHEMBL2470235
    • SCHEMBL9273775
    • SCHEMBL28544020
    • DTXSID40941569
    • AKOS009157824
    • SB84375
    • AS-56580
    • DB-044983
    • F94291
    • EN300-4207978
    • 19781-77-2

  • Applications

    6-Hepten-3-ol (CAS 19781-77-2) is typically used as a reactive intermediate and building block in fragrance and flavor chemistry. It is commonly evaluated as a precursor for the synthesis of aroma compounds and other unsaturated alcohols used in fragrance applications. It may function as a scent component in cosmetics and personal care formulations, and as a fragrance additive in cleaning and household products. In industrial manufacturing, it can serve as a starting material for aroma-related intermediates and for subsequent transformations toward polymers or coatings that require unsaturated alcohol functionality. Its use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 775.48
    methanol 603.63
    isopropanol 718.38
    water 1.16
    ethyl acetate 171.23
    n-propanol 653.7
    acetone 215.37
    n-butanol 683.16
    acetonitrile 196.68
    DMF 224.63
    toluene 88.38
    isobutanol 482.47
    1,4-dioxane 456.34
    methyl acetate 164.34
    THF 707.45
    2-butanone 237.52
    n-pentanol 440.88
    sec-butanol 589.95
    n-hexane 167.96
    ethylene glycol 116.37
    NMP 185.98
    cyclohexane 151.01
    DMSO 397.53
    n-butyl acetate 373.15
    n-octanol 255.57
    chloroform 528.11
    n-propyl acetate 160.85
    acetic acid 248.81
    dichloromethane 393.92
    cyclohexanone 321.67
    propylene glycol 213.69
    isopropyl acetate 112.05
    DMAc 166.83
    2-ethoxyethanol 310.32
    isopentanol 514.02
    n-heptane 200.84
    ethyl formate 142.17
    1,2-dichloroethane 204.28
    n-hexanol 762.21
    2-methoxyethanol 484.12
    isobutyl acetate 114.49
    tetrachloromethane 118.86
    n-pentyl acetate 165.24
    transcutol 734.87
    n-heptanol 293.46
    ethylbenzene 71.95
    MIBK 140.35
    2-propoxyethanol 554.62
    tert-butanol 685.8
    MTBE 326.9
    2-butoxyethanol 307.23
    propionic acid 250.54
    o-xylene 69.4
    formic acid 67.29
    diethyl ether 312.97
    m-xylene 72.46
    p-xylene 90.8
    chlorobenzene 113.38
    dimethyl carbonate 28.99
    n-octane 52.28
    formamide 67.88
    cyclopentanone 295.7
    2-pentanone 201.91
    anisole 121.5
    cyclopentyl methyl ether 265.85
    gamma-butyrolactone 261.36
    1-methoxy-2-propanol 377.68
    pyridine 259.8
    3-pentanone 117.32
    furfural 227.44
    n-dodecane 35.22
    diethylene glycol 312.39
    diisopropyl ether 101.59
    tert-amyl alcohol 483.84
    acetylacetone 120.6
    n-hexadecane 36.9
    acetophenone 104.02
    methyl propionate 111.34
    isopentyl acetate 301.32
    trichloroethylene 299.67
    n-nonanol 210.05
    cyclohexanol 404.61
    benzyl alcohol 136.32
    2-ethylhexanol 453.3
    isooctanol 213.81
    dipropyl ether 384.31
    1,2-dichlorobenzene 101.16
    ethyl lactate 87.02
    propylene carbonate 163.04
    n-methylformamide 137.91
    2-pentanol 444.74
    n-pentane 147.68
    1-propoxy-2-propanol 487.51
    1-methoxy-2-propyl acetate 190.15
    2-(2-methoxypropoxy) propanol 219.04
    mesitylene 55.77
    ε-caprolactone 265.66
    p-cymene 91.04
    epichlorohydrin 311.31
    1,1,1-trichloroethane 201.36
    2-aminoethanol 274.5
    morpholine-4-carbaldehyde 246.32
    sulfolane 267.51
    2,2,4-trimethylpentane 57.99
    2-methyltetrahydrofuran 534.0
    n-hexyl acetate 223.24
    isooctane 54.55
    2-(2-butoxyethoxy)ethanol 307.74
    sec-butyl acetate 111.11
    tert-butyl acetate 126.11
    decalin 60.42
    glycerin 207.49
    diglyme 428.28
    acrylic acid 153.38
    isopropyl myristate 99.3
    n-butyric acid 423.54
    acetyl acetate 73.47
    di(2-ethylhexyl) phthalate 94.84
    ethyl propionate 105.96
    nitromethane 186.65
    1,2-diethoxyethane 317.64
    benzonitrile 166.93
    trioctyl phosphate 84.76
    1-bromopropane 287.38
    gamma-valerolactone 313.41
    n-decanol 154.92
    triethyl phosphate 84.39
    4-methyl-2-pentanol 217.33
    propionitrile 268.65
    vinylene carbonate 132.01
    1,1,2-trichlorotrifluoroethane 212.52
    DMS 81.94
    cumene 64.1
    2-octanol 187.98
    2-hexanone 201.43
    octyl acetate 121.36
    limonene 168.64
    1,2-dimethoxyethane 449.22
    ethyl orthosilicate 93.35
    tributyl phosphate 92.88
    diacetone alcohol 186.87
    N,N-dimethylaniline 93.28
    acrylonitrile 203.67
    aniline 140.78
    1,3-propanediol 391.35
    bromobenzene 105.98
    dibromomethane 342.88
    1,1,2,2-tetrachloroethane 273.85
    2-methyl-cyclohexyl acetate 165.78
    tetrabutyl urea 115.12
    diisobutyl methanol 191.28
    2-phenylethanol 192.93
    styrene 83.78
    dioctyl adipate 126.32
    dimethyl sulfate 43.35
    ethyl butyrate 224.22
    methyl lactate 80.45
    butyl lactate 144.56
    diethyl carbonate 122.67
    propanediol butyl ether 262.37
    triethyl orthoformate 162.32
    p-tert-butyltoluene 88.15
    methyl 4-tert-butylbenzoate 122.96
    morpholine 561.39
    tert-butylamine 526.66
    n-dodecanol 121.91
    dimethoxymethane 159.21
    ethylene carbonate 124.15
    cyrene 138.45
    2-ethoxyethyl acetate 153.1
    2-ethylhexyl acetate 237.53
    1,2,4-trichlorobenzene 112.71
    4-methylpyridine 229.46
    dibutyl ether 256.55
    2,6-dimethyl-4-heptanol 191.28
    DEF 175.74
    dimethyl isosorbide 264.14
    tetrachloroethylene 199.07
    eugenol 138.31
    triacetin 137.04
    span 80 259.54
    1,4-butanediol 169.95
    1,1-dichloroethane 264.42
    2-methyl-1-pentanol 342.66
    methyl formate 75.97
    2-methyl-1-butanol 461.8
    n-decane 58.85
    butyronitrile 393.23
    3,7-dimethyl-1-octanol 238.66
    1-chlorooctane 133.11
    1-chlorotetradecane 58.34
    n-nonane 61.92
    undecane 43.11
    tert-butylcyclohexane 66.95
    cyclooctane 54.3
    cyclopentanol 421.83
    tetrahydropyran 611.64
    tert-amyl methyl ether 220.33
    2,5,8-trioxanonane 322.82
    1-hexene 335.41
    2-isopropoxyethanol 236.94
    2,2,2-trifluoroethanol 52.31
    methyl butyrate 168.2

    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