(5Z)-5-octenoic acid

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  • Identifiers

    CAS number
    41653-97-8

    Molecular formula
    C8H14O2

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

  • Odor profile

    Green 90.72%
    Fruity 82.87%
    Fatty 82.41%
    Waxy 72.04%
    Dairy 61.39%
    Melon 51.65%
    Oily 47.11%
    Cheesy 44.49%
    Vegetable 37.44%
    Milky 35.69%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.31 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 239.00 to 241.00 °C. @ 760.00 mm Hg

    Flash point est.
    116.11 ˚C

    Solubility expt.

    • slightly
    • Slightly soluble in water;soluble in most organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • cis-5-octenoic acid
    • (Z)-5-Octenoic acid
    • 5-Octenoic acid, (5Z)-
    • (5Z)-5-octenoic acid
    • Octenoic acid
    • 5Z-octenoic acid
    • (Z)-oct-5-enoic acid
    • 6OL5TNF5WG
    • 41653-97-8
    • UNII-6OL5TNF5WG
    • (5Z)-octenoic acid
    • cis-delta-octenoic acid
    • (5Z)-oct-5-enoic acid
    • 5-OCTENOIC ACID, CIS-
    • FEMA NO. 4350
    • FEMA 4350
    • CHEBI:176781
    • 5-OCTENOIC ACID, (Z)-
    • CIS-5-OCTENOIC ACID [FHFI]
    • C8:1n-3
    • SCHEMBL583941
    • RRGOKSYVAZDNKR-ARJAWSKDSA-N
    • LMFA01030022
    • AKOS006377827
    • Q27265237

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1384.51
    methanol 1820.91
    isopropanol 879.98
    water 1.46
    ethyl acetate 421.65
    n-propanol 831.53
    acetone 1213.88
    n-butanol 723.9
    acetonitrile 261.07
    DMF 2008.79
    toluene 87.18
    isobutanol 612.07
    1,4-dioxane 601.6
    methyl acetate 296.97
    THF 1478.0
    2-butanone 543.32
    n-pentanol 580.96
    sec-butanol 604.3
    n-hexane 152.76
    ethylene glycol 350.1
    NMP 1295.11
    cyclohexane 43.2
    DMSO 2818.46
    n-butyl acetate 430.55
    n-octanol 246.36
    chloroform 246.05
    n-propyl acetate 346.6
    acetic acid 760.16
    dichloromethane 228.28
    cyclohexanone 731.96
    propylene glycol 517.53
    isopropyl acetate 321.1
    DMAc 871.47
    2-ethoxyethanol 659.42
    isopentanol 643.04
    n-heptane 39.32
    ethyl formate 223.94
    1,2-dichloroethane 265.59
    n-hexanol 600.47
    2-methoxyethanol 1076.43
    isobutyl acetate 237.71
    tetrachloromethane 58.16
    n-pentyl acetate 241.59
    transcutol 2191.36
    n-heptanol 225.82
    ethylbenzene 84.28
    MIBK 390.9
    2-propoxyethanol 766.33
    tert-butanol 1164.13
    MTBE 593.28
    2-butoxyethanol 395.78
    propionic acid 575.21
    o-xylene 91.6
    formic acid 317.57
    diethyl ether 387.14
    m-xylene 124.21
    p-xylene 102.0
    chlorobenzene 128.41
    dimethyl carbonate 137.76
    n-octane 16.15
    formamide 385.56
    cyclopentanone 1115.2
    2-pentanone 642.06
    anisole 224.27
    cyclopentyl methyl ether 698.48
    gamma-butyrolactone 996.43
    1-methoxy-2-propanol 969.59
    pyridine 299.06
    3-pentanone 312.41
    furfural 555.46
    n-dodecane 12.34
    diethylene glycol 564.03
    diisopropyl ether 167.85
    tert-amyl alcohol 774.48
    acetylacetone 593.03
    n-hexadecane 13.62
    acetophenone 212.43
    methyl propionate 383.9
    isopentyl acetate 401.29
    trichloroethylene 425.56
    n-nonanol 202.9
    cyclohexanol 509.75
    benzyl alcohol 228.92
    2-ethylhexanol 307.35
    isooctanol 193.97
    dipropyl ether 262.85
    1,2-dichlorobenzene 133.97
    ethyl lactate 176.79
    propylene carbonate 435.79
    n-methylformamide 741.06
    2-pentanol 504.65
    n-pentane 56.6
    1-propoxy-2-propanol 588.67
    1-methoxy-2-propyl acetate 405.56
    2-(2-methoxypropoxy) propanol 393.83
    mesitylene 97.84
    ε-caprolactone 568.83
    p-cymene 63.44
    epichlorohydrin 773.41
    1,1,1-trichloroethane 221.14
    2-aminoethanol 719.1
    morpholine-4-carbaldehyde 781.99
    sulfolane 1554.8
    2,2,4-trimethylpentane 41.36
    2-methyltetrahydrofuran 973.18
    n-hexyl acetate 390.94
    isooctane 43.96
    2-(2-butoxyethoxy)ethanol 598.98
    sec-butyl acetate 233.93
    tert-butyl acetate 448.93
    decalin 44.94
    glycerin 598.85
    diglyme 798.34
    acrylic acid 436.37
    isopropyl myristate 129.17
    n-butyric acid 752.38
    acetyl acetate 184.01
    di(2-ethylhexyl) phthalate 140.25
    ethyl propionate 268.55
    nitromethane 805.95
    1,2-diethoxyethane 457.55
    benzonitrile 211.79
    trioctyl phosphate 111.28
    1-bromopropane 174.8
    gamma-valerolactone 987.09
    n-decanol 148.78
    triethyl phosphate 108.67
    4-methyl-2-pentanol 304.57
    propionitrile 273.28
    vinylene carbonate 294.45
    1,1,2-trichlorotrifluoroethane 571.29
    DMS 210.82
    cumene 77.81
    2-octanol 169.8
    2-hexanone 472.24
    octyl acetate 173.76
    limonene 116.75
    1,2-dimethoxyethane 796.13
    ethyl orthosilicate 117.2
    tributyl phosphate 143.0
    diacetone alcohol 644.21
    N,N-dimethylaniline 187.68
    acrylonitrile 312.02
    aniline 222.32
    1,3-propanediol 730.54
    bromobenzene 115.03
    dibromomethane 180.26
    1,1,2,2-tetrachloroethane 435.71
    2-methyl-cyclohexyl acetate 215.44
    tetrabutyl urea 188.69
    diisobutyl methanol 172.23
    2-phenylethanol 244.73
    styrene 94.72
    dioctyl adipate 203.11
    dimethyl sulfate 310.05
    ethyl butyrate 227.05
    methyl lactate 287.37
    butyl lactate 253.31
    diethyl carbonate 128.12
    propanediol butyl ether 518.99
    triethyl orthoformate 170.31
    p-tert-butyltoluene 71.13
    methyl 4-tert-butylbenzoate 236.2
    morpholine 904.85
    tert-butylamine 687.56
    n-dodecanol 106.89
    dimethoxymethane 665.19
    ethylene carbonate 251.63
    cyrene 306.66
    2-ethoxyethyl acetate 310.6
    2-ethylhexyl acetate 282.77
    1,2,4-trichlorobenzene 171.6
    4-methylpyridine 366.63
    dibutyl ether 238.15
    2,6-dimethyl-4-heptanol 172.23
    DEF 615.73
    dimethyl isosorbide 555.73
    tetrachloroethylene 278.18
    eugenol 255.9
    triacetin 282.96
    span 80 379.22
    1,4-butanediol 355.18
    1,1-dichloroethane 242.99
    2-methyl-1-pentanol 496.75
    methyl formate 356.85
    2-methyl-1-butanol 556.94
    n-decane 21.69
    butyronitrile 365.15
    3,7-dimethyl-1-octanol 247.37
    1-chlorooctane 102.51
    1-chlorotetradecane 36.75
    n-nonane 22.81
    undecane 15.75
    tert-butylcyclohexane 60.85
    cyclooctane 19.73
    cyclopentanol 722.91
    tetrahydropyran 675.19
    tert-amyl methyl ether 411.86
    2,5,8-trioxanonane 569.25
    1-hexene 365.66
    2-isopropoxyethanol 505.51
    2,2,2-trifluoroethanol 174.58
    methyl butyrate 369.38

    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) 0.07%