cis-beta-Octenoic acid

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  • Identifiers

    CAS number
    5169-51-7

    Molecular formula
    C8H14O2

    SMILES
    CCCC/C=C\CC(=O)O

  • Odor profile

    Green 90.43%
    Fruity 88.88%
    Fatty 82.66%
    Waxy 73.77%
    Dairy 60.85%
    Melon 50.22%
    Oily 45.46%
    Cheesy 45.31%
    Milky 34.46%
    Pear 33.14%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    236°C

    Flash point est.
    114.45 ˚C

  • Synonyms

    • (Z)-3-octenoic acid
    • cis-beta-octenoic acid
    • 3-Octenoic acid, (3Z)-
    • 3Z-octenoic acid
    • 5169-51-7
    • cis-3-octenoic acid
    • 54ZLT8D16E
    • C8:1n-5
    • (Z)-oct-3-enoic acid
    • UNII-54ZLT8D16E
    • 3-OCTENOIC ACID, CIS
    • cis-oct-3-enoic acid
    • (3Z)-3-octenoic acid
    • SCHEMBL5375230
    • 3-OCTENOIC ACID, CIS-
    • 3-OCTENOIC ACID, (Z)-
    • CHEBI:180314
    • FEMA NO. 4362, Z-
    • LMFA01030019
    • AKOS006222555
    • Q27261250

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 895.71
    methanol 1232.23
    isopropanol 499.34
    water 1.33
    ethyl acetate 261.14
    n-propanol 547.03
    acetone 691.04
    n-butanol 473.95
    acetonitrile 127.42
    DMF 1420.9
    toluene 52.39
    isobutanol 409.81
    1,4-dioxane 315.54
    methyl acetate 185.86
    THF 1053.92
    2-butanone 344.63
    n-pentanol 386.15
    sec-butanol 364.34
    n-hexane 60.27
    ethylene glycol 325.71
    NMP 922.27
    cyclohexane 20.78
    DMSO 1909.86
    n-butyl acetate 306.01
    n-octanol 154.72
    chloroform 124.73
    n-propyl acetate 214.9
    acetic acid 563.06
    dichloromethane 116.99
    cyclohexanone 531.1
    propylene glycol 469.03
    isopropyl acetate 217.82
    DMAc 655.67
    2-ethoxyethanol 491.36
    isopentanol 460.23
    n-heptane 21.51
    ethyl formate 152.67
    1,2-dichloroethane 149.93
    n-hexanol 466.06
    2-methoxyethanol 897.99
    isobutyl acetate 161.18
    tetrachloromethane 34.4
    n-pentyl acetate 145.51
    transcutol 1485.28
    n-heptanol 160.51
    ethylbenzene 52.34
    MIBK 290.05
    2-propoxyethanol 641.55
    tert-butanol 731.91
    MTBE 320.91
    2-butoxyethanol 301.01
    propionic acid 392.91
    o-xylene 61.05
    formic acid 246.87
    diethyl ether 164.07
    m-xylene 86.25
    p-xylene 65.68
    chlorobenzene 76.77
    dimethyl carbonate 101.84
    n-octane 7.99
    formamide 299.25
    cyclopentanone 871.95
    2-pentanone 412.95
    anisole 155.36
    cyclopentyl methyl ether 465.38
    gamma-butyrolactone 757.99
    1-methoxy-2-propanol 760.32
    pyridine 184.55
    3-pentanone 189.62
    furfural 423.98
    n-dodecane 6.69
    diethylene glycol 518.52
    diisopropyl ether 91.51
    tert-amyl alcohol 516.27
    acetylacetone 425.27
    n-hexadecane 7.45
    acetophenone 155.71
    methyl propionate 252.06
    isopentyl acetate 295.55
    trichloroethylene 267.03
    n-nonanol 126.37
    cyclohexanol 361.28
    benzyl alcohol 175.59
    2-ethylhexanol 224.18
    isooctanol 135.71
    dipropyl ether 160.44
    1,2-dichlorobenzene 86.54
    ethyl lactate 141.6
    propylene carbonate 328.46
    n-methylformamide 542.41
    2-pentanol 310.91
    n-pentane 22.26
    1-propoxy-2-propanol 489.31
    1-methoxy-2-propyl acetate 323.93
    2-(2-methoxypropoxy) propanol 313.52
    mesitylene 67.19
    ε-caprolactone 401.29
    p-cymene 45.28
    epichlorohydrin 537.75
    1,1,1-trichloroethane 131.26
    2-aminoethanol 614.41
    morpholine-4-carbaldehyde 590.17
    sulfolane 1174.97
    2,2,4-trimethylpentane 21.72
    2-methyltetrahydrofuran 622.83
    n-hexyl acetate 244.43
    isooctane 24.39
    2-(2-butoxyethoxy)ethanol 469.16
    sec-butyl acetate 149.31
    tert-butyl acetate 322.94
    decalin 25.56
    glycerin 555.06
    diglyme 620.14
    acrylic acid 304.3
    isopropyl myristate 85.91
    n-butyric acid 528.97
    acetyl acetate 129.25
    di(2-ethylhexyl) phthalate 103.72
    ethyl propionate 171.02
    nitromethane 555.85
    1,2-diethoxyethane 270.7
    benzonitrile 140.89
    trioctyl phosphate 82.18
    1-bromopropane 82.46
    gamma-valerolactone 745.39
    n-decanol 93.28
    triethyl phosphate 80.72
    4-methyl-2-pentanol 220.29
    propionitrile 155.58
    vinylene carbonate 211.94
    1,1,2-trichlorotrifluoroethane 475.55
    DMS 148.43
    cumene 53.7
    2-octanol 105.82
    2-hexanone 306.92
    octyl acetate 117.88
    limonene 81.06
    1,2-dimethoxyethane 555.81
    ethyl orthosilicate 84.31
    tributyl phosphate 103.01
    diacetone alcohol 543.2
    N,N-dimethylaniline 131.91
    acrylonitrile 189.08
    aniline 152.12
    1,3-propanediol 589.01
    bromobenzene 66.62
    dibromomethane 89.88
    1,1,2,2-tetrachloroethane 266.76
    2-methyl-cyclohexyl acetate 161.14
    tetrabutyl urea 139.08
    diisobutyl methanol 122.99
    2-phenylethanol 195.12
    styrene 55.66
    dioctyl adipate 143.16
    dimethyl sulfate 233.4
    ethyl butyrate 162.94
    methyl lactate 236.97
    butyl lactate 188.77
    diethyl carbonate 94.48
    propanediol butyl ether 418.02
    triethyl orthoformate 124.19
    p-tert-butyltoluene 51.44
    methyl 4-tert-butylbenzoate 177.25
    morpholine 554.61
    tert-butylamine 397.1
    n-dodecanol 67.54
    dimethoxymethane 472.83
    ethylene carbonate 178.8
    cyrene 255.2
    2-ethoxyethyl acetate 203.62
    2-ethylhexyl acetate 202.74
    1,2,4-trichlorobenzene 114.72
    4-methylpyridine 231.38
    dibutyl ether 127.02
    2,6-dimethyl-4-heptanol 122.99
    DEF 411.69
    dimethyl isosorbide 451.29
    tetrachloroethylene 176.58
    eugenol 198.53
    triacetin 201.98
    span 80 297.97
    1,4-butanediol 280.56
    1,1-dichloroethane 122.12
    2-methyl-1-pentanol 341.03
    methyl formate 271.97
    2-methyl-1-butanol 392.77
    n-decane 10.72
    butyronitrile 211.96
    3,7-dimethyl-1-octanol 165.28
    1-chlorooctane 55.52
    1-chlorotetradecane 21.58
    n-nonane 10.94
    undecane 8.23
    tert-butylcyclohexane 35.19
    cyclooctane 10.0
    cyclopentanol 525.06
    tetrahydropyran 330.63
    tert-amyl methyl ether 244.71
    2,5,8-trioxanonane 447.36
    1-hexene 166.76
    2-isopropoxyethanol 354.19
    2,2,2-trifluoroethanol 127.47
    methyl butyrate 248.05

    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
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.06%