6-Heptenoic acid

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  • Identifiers

    CAS number
    1119-60-4

    Molecular formula
    C7H12O2

    SMILES
    C=CCCCCC(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fatty 75.39%
    Fruity 67.59%
    Cheesy 65.64%
    Green 59.32%
    Dairy 53.72%
    Waxy 51.02%
    Sour 45.35%
    Buttery 37.79%
    Milky 37.07%
    Sweaty 35.32%

     

    Flavor
    Fatty 45.34%
    Cheese 38.61%
    Sour 34.07%
    Fruity 34.07%
    Oily 33.32%
    Waxy 32.72%
    Rancid 29.86%
    Sweat 28.23%
    Green 26.27%
    Cheesy 25.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.95 (neutral)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    221°C

    Flash point

    • 99.31 ˚C est.

  • Synonyms

    • 6-Heptenoic acid
    • Hept-6-enoic acid
    • 1119-60-4
    • epsilon-heptenoic acid
    • TZY1TN97UH
    • MFCD00014382
    • C7:1n-1
    • EINECS 214-283-5
    • UNII-TZY1TN97UH
    • CHEBI:38363
    • DTXSID80149769
    • 6-Heptenoic acid, 99%
    • SCHEMBL335817
    • DTXCID1072260
    • LMFA01030016
    • AKOS006221238
    • AS-49569
    • SY238390
    • DB-041023
    • CS-0097711
    • NS00023595
    • EN300-160225
    • I11996
    • Q27117573

  • Applications

    6-Heptenoic acid, CAS 1119-60-4, is primarily used as an organic synthesis intermediate and can be esterified to give esters that serve as fragrance ingredients and cosmetic intermediates, as well as a precursor to other downstream compounds. Its carboxyl group and terminal alkene allow it to act as a monomer or comonomer for certain specialty polymers and coatings, enabling network formation through esterification or other functional modifications. It is also used as a precursor for coatings, inks, and adhesives, where it can provide reactive functionality for crosslinking or be converted to reactive diluents and related additives. Use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 253.88
    methanol 547.21
    isopropanol 103.53
    water 18.48
    ethyl acetate 53.93
    n-propanol 166.05
    acetone 164.48
    n-butanol 130.81
    acetonitrile 22.53
    DMF 522.63
    toluene 15.29
    isobutanol 133.39
    1,4-dioxane 65.46
    methyl acetate 53.76
    THF 293.92
    2-butanone 99.02
    n-pentanol 117.52
    sec-butanol 107.56
    n-hexane 15.12
    ethylene glycol 228.77
    NMP 725.54
    cyclohexane 6.2
    DMSO 1027.56
    n-butyl acetate 113.8
    n-octanol 63.8
    chloroform 23.12
    n-propyl acetate 70.53
    acetic acid 324.11
    dichloromethane 22.55
    cyclohexanone 203.44
    propylene glycol 242.42
    isopropyl acetate 55.1
    DMAc 391.05
    2-ethoxyethanol 215.11
    isopentanol 153.09
    n-heptane 7.13
    ethyl formate 67.67
    1,2-dichloroethane 36.45
    n-hexanol 152.14
    2-methoxyethanol 383.23
    isobutyl acetate 51.97
    tetrachloromethane 15.48
    n-pentyl acetate 63.45
    transcutol 801.43
    n-heptanol 65.47
    ethylbenzene 19.16
    MIBK 99.36
    2-propoxyethanol 261.71
    tert-butanol 231.23
    MTBE 74.59
    2-butoxyethanol 140.15
    propionic acid 239.0
    o-xylene 26.59
    formic acid 285.37
    diethyl ether 24.21
    m-xylene 27.32
    p-xylene 24.5
    chlorobenzene 25.46
    dimethyl carbonate 52.66
    n-octane 2.48
    formamide 275.76
    cyclopentanone 375.84
    2-pentanone 105.27
    anisole 55.8
    cyclopentyl methyl ether 145.56
    gamma-butyrolactone 413.37
    1-methoxy-2-propanol 280.07
    pyridine 53.98
    3-pentanone 62.81
    furfural 292.23
    n-dodecane 1.93
    diethylene glycol 262.66
    diisopropyl ether 22.63
    tert-amyl alcohol 237.12
    acetylacetone 157.62
    n-hexadecane 2.13
    acetophenone 88.61
    methyl propionate 77.79
    isopentyl acetate 115.22
    trichloroethylene 77.75
    n-nonanol 53.82
    cyclohexanol 125.04
    benzyl alcohol 77.7
    2-ethylhexanol 84.87
    isooctanol 55.56
    dipropyl ether 43.34
    1,2-dichlorobenzene 41.77
    ethyl lactate 75.45
    propylene carbonate 195.74
    n-methylformamide 266.68
    2-pentanol 81.37
    n-pentane 5.23
    1-propoxy-2-propanol 195.74
    1-methoxy-2-propyl acetate 137.69
    2-(2-methoxypropoxy) propanol 192.44
    mesitylene 25.09
    ε-caprolactone 202.3
    p-cymene 22.89
    epichlorohydrin 204.12
    1,1,1-trichloroethane 33.57
    2-aminoethanol 350.09
    morpholine-4-carbaldehyde 362.33
    sulfolane 806.57
    2,2,4-trimethylpentane 9.93
    2-methyltetrahydrofuran 194.06
    n-hexyl acetate 107.73
    isooctane 8.04
    2-(2-butoxyethoxy)ethanol 270.12
    sec-butyl acetate 51.38
    tert-butyl acetate 107.47
    decalin 9.58
    glycerin 357.93
    diglyme 318.21
    acrylic acid 234.85
    isopropyl myristate 36.23
    n-butyric acid 208.14
    acetyl acetate 47.33
    di(2-ethylhexyl) phthalate 60.48
    ethyl propionate 59.88
    nitromethane 283.23
    1,2-diethoxyethane 83.57
    benzonitrile 49.44
    trioctyl phosphate 43.63
    1-bromopropane 14.27
    gamma-valerolactone 380.06
    n-decanol 38.78
    triethyl phosphate 47.09
    4-methyl-2-pentanol 74.89
    propionitrile 32.47
    vinylene carbonate 122.52
    1,1,2-trichlorotrifluoroethane 283.77
    DMS 87.67
    cumene 23.51
    2-octanol 40.62
    2-hexanone 102.62
    octyl acetate 52.49
    limonene 36.18
    1,2-dimethoxyethane 200.94
    ethyl orthosilicate 43.71
    tributyl phosphate 57.78
    diacetone alcohol 244.32
    N,N-dimethylaniline 65.42
    acrylonitrile 53.05
    aniline 54.74
    1,3-propanediol 284.54
    bromobenzene 18.26
    dibromomethane 17.07
    1,1,2,2-tetrachloroethane 79.6
    2-methyl-cyclohexyl acetate 81.19
    tetrabutyl urea 80.48
    diisobutyl methanol 47.77
    2-phenylethanol 93.31
    styrene 16.77
    dioctyl adipate 73.05
    dimethyl sulfate 179.28
    ethyl butyrate 69.42
    methyl lactate 129.91
    butyl lactate 108.54
    diethyl carbonate 45.48
    propanediol butyl ether 236.83
    triethyl orthoformate 55.93
    p-tert-butyltoluene 23.12
    methyl 4-tert-butylbenzoate 108.37
    morpholine 123.18
    tert-butylamine 116.86
    n-dodecanol 26.57
    dimethoxymethane 145.3
    ethylene carbonate 95.32
    cyrene 182.26
    2-ethoxyethyl acetate 100.02
    2-ethylhexyl acetate 81.85
    1,2,4-trichlorobenzene 58.99
    4-methylpyridine 63.84
    dibutyl ether 34.91
    2,6-dimethyl-4-heptanol 47.77
    DEF 151.21
    dimethyl isosorbide 251.96
    tetrachloroethylene 75.06
    eugenol 119.19
    triacetin 114.08
    span 80 163.23
    1,4-butanediol 140.83
    1,1-dichloroethane 20.02
    2-methyl-1-pentanol 140.67
    methyl formate 162.57
    2-methyl-1-butanol 152.81
    n-decane 3.18
    butyronitrile 36.64
    3,7-dimethyl-1-octanol 74.21
    1-chlorooctane 17.64
    1-chlorotetradecane 6.92
    n-nonane 3.05
    undecane 2.4
    tert-butylcyclohexane 12.0
    cyclooctane 3.37
    cyclopentanol 208.54
    tetrahydropyran 56.76
    tert-amyl methyl ether 82.2
    2,5,8-trioxanonane 246.23
    1-hexene 32.3
    2-isopropoxyethanol 152.18
    2,2,2-trifluoroethanol 114.52
    methyl butyrate 96.24

    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
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%