(5Z)-octa-1,5-dien-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    65767-22-8

    Molecular formula
    C8H12O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1282.0

  • Odor profile

    Green 81.83%
    Earthy 61.05%
    Metallic 56.33%
    Mushroom 52.27%
    Vegetable 48.38%
    Herbal 41.98%
    Pungent 41.62%
    Spicy 36.76%
    Radish 36.66%
    Fatty 35.92%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.31 (weak base)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    172°C

    Flash point est.
    53.96 ˚C

  • Synonyms

    • (Z)-1,5-Octadien-3-one
    • (5Z)-octa-1,5-dien-3-one
    • 65767-22-8
    • (Z)-Octa-1,5-dien-3-one
    • cis-1,5-octadien-3-one
    • FEMA No. 4405
    • 1,5-Octadien-3-one [FHFI]
    • 1,5-Octadien-3-one, (Z)-
    • DTXSID101017502
    • 1,5-Octadien-3-one, (5Z)-
    • octadienone,(Z)-1,5-octadien-3-one
    • 5224B73P1O
    • (Z)-Octa-1,5-dien-3-one (~0.1% Hydroquinone)
    • (Z)-1,5-Octadien-3-one; cis-1,5-Octadien-3-one; (5Z)-1,5-Octadien-3-one
    • starbld0006427
    • octadien-3-one, 1,5(Z)
    • (5Z)-1,5-octadien-3-one
    • 1,5-octadien-3-one, (Z)
    • SCHEMBL1116438
    • UNII-5224B73P1O
    • VWYBQOFZVSNDAW-WAYWQWQTSA-N
    • DTXCID501475693
    • AKOS025296133
    • EN300-4745932
    • Q27260947
    • (Z)-Octa-1,5-dien-3-one (~0.1% Hydroquinone) (>80%)
    • 847-049-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 594.9
    methanol 546.43
    isopropanol 421.52
    water 0.45
    ethyl acetate 502.8
    n-propanol 446.7
    acetone 628.01
    n-butanol 473.73
    acetonitrile 414.59
    DMF 662.04
    toluene 251.56
    isobutanol 332.22
    1,4-dioxane 698.4
    methyl acetate 408.71
    THF 952.52
    2-butanone 516.89
    n-pentanol 367.15
    sec-butanol 404.12
    n-hexane 183.83
    ethylene glycol 79.98
    NMP 635.53
    cyclohexane 219.94
    DMSO 692.93
    n-butyl acetate 646.31
    n-octanol 206.26
    chloroform 1097.51
    n-propyl acetate 340.22
    acetic acid 423.75
    dichloromethane 987.16
    cyclohexanone 760.7
    propylene glycol 119.25
    isopropyl acetate 286.13
    DMAc 545.61
    2-ethoxyethanol 288.05
    isopentanol 404.99
    n-heptane 111.2
    ethyl formate 273.47
    1,2-dichloroethane 590.37
    n-hexanol 525.96
    2-methoxyethanol 437.17
    isobutyl acetate 213.8
    tetrachloromethane 203.45
    n-pentyl acetate 272.55
    transcutol 1443.41
    n-heptanol 171.36
    ethylbenzene 175.28
    MIBK 251.4
    2-propoxyethanol 526.18
    tert-butanol 537.39
    MTBE 472.13
    2-butoxyethanol 251.81
    propionic acid 337.93
    o-xylene 169.13
    formic acid 89.04
    diethyl ether 534.57
    m-xylene 178.85
    p-xylene 216.54
    chlorobenzene 355.43
    dimethyl carbonate 109.12
    n-octane 36.47
    formamide 126.67
    cyclopentanone 728.9
    2-pentanone 458.01
    anisole 293.91
    cyclopentyl methyl ether 460.43
    gamma-butyrolactone 677.13
    1-methoxy-2-propanol 346.0
    pyridine 641.83
    3-pentanone 314.18
    furfural 546.82
    n-dodecane 26.15
    diethylene glycol 285.1
    diisopropyl ether 158.68
    tert-amyl alcohol 453.65
    acetylacetone 399.38
    n-hexadecane 29.8
    acetophenone 275.49
    methyl propionate 303.46
    isopentyl acetate 496.01
    trichloroethylene 1096.5
    n-nonanol 176.73
    cyclohexanol 449.07
    benzyl alcohol 229.53
    2-ethylhexanol 333.38
    isooctanol 145.26
    dipropyl ether 352.8
    1,2-dichlorobenzene 322.59
    ethyl lactate 128.85
    propylene carbonate 408.76
    n-methylformamide 245.18
    2-pentanol 340.76
    n-pentane 132.35
    1-propoxy-2-propanol 415.59
    1-methoxy-2-propyl acetate 384.75
    2-(2-methoxypropoxy) propanol 319.48
    mesitylene 123.96
    ε-caprolactone 570.11
    p-cymene 132.0
    epichlorohydrin 706.53
    1,1,1-trichloroethane 628.09
    2-aminoethanol 177.18
    morpholine-4-carbaldehyde 523.09
    sulfolane 717.88
    2,2,4-trimethylpentane 56.45
    2-methyltetrahydrofuran 836.2
    n-hexyl acetate 411.49
    isooctane 46.78
    2-(2-butoxyethoxy)ethanol 390.8
    sec-butyl acetate 235.9
    tert-butyl acetate 295.46
    decalin 88.43
    glycerin 143.37
    diglyme 664.37
    acrylic acid 250.14
    isopropyl myristate 155.8
    n-butyric acid 535.76
    acetyl acetate 271.29
    di(2-ethylhexyl) phthalate 148.55
    ethyl propionate 271.19
    nitromethane 542.95
    1,2-diethoxyethane 561.07
    benzonitrile 358.52
    trioctyl phosphate 101.87
    1-bromopropane 510.89
    gamma-valerolactone 668.13
    n-decanol 130.11
    triethyl phosphate 150.0
    4-methyl-2-pentanol 189.84
    propionitrile 379.17
    vinylene carbonate 350.15
    1,1,2-trichlorotrifluoroethane 429.93
    DMS 270.56
    cumene 123.36
    2-octanol 135.18
    2-hexanone 393.44
    octyl acetate 192.07
    limonene 226.22
    1,2-dimethoxyethane 587.77
    ethyl orthosilicate 151.02
    tributyl phosphate 141.25
    diacetone alcohol 293.18
    N,N-dimethylaniline 206.92
    acrylonitrile 395.49
    aniline 278.25
    1,3-propanediol 250.07
    bromobenzene 390.23
    dibromomethane 732.42
    1,1,2,2-tetrachloroethane 835.55
    2-methyl-cyclohexyl acetate 273.52
    tetrabutyl urea 181.8
    diisobutyl methanol 172.3
    2-phenylethanol 288.11
    styrene 236.68
    dioctyl adipate 220.89
    dimethyl sulfate 183.25
    ethyl butyrate 382.32
    methyl lactate 137.08
    butyl lactate 191.55
    diethyl carbonate 241.78
    propanediol butyl ether 248.88
    triethyl orthoformate 234.57
    p-tert-butyltoluene 124.43
    methyl 4-tert-butylbenzoate 229.53
    morpholine 773.2
    tert-butylamine 404.76
    n-dodecanol 99.55
    dimethoxymethane 326.12
    ethylene carbonate 296.36
    cyrene 223.04
    2-ethoxyethyl acetate 331.94
    2-ethylhexyl acetate 393.63
    1,2,4-trichlorobenzene 364.37
    4-methylpyridine 618.74
    dibutyl ether 322.11
    2,6-dimethyl-4-heptanol 172.3
    DEF 488.53
    dimethyl isosorbide 461.02
    tetrachloroethylene 535.14
    eugenol 237.84
    triacetin 326.62
    span 80 289.32
    1,4-butanediol 111.54
    1,1-dichloroethane 656.33
    2-methyl-1-pentanol 333.78
    methyl formate 187.68
    2-methyl-1-butanol 381.61
    n-decane 45.84
    butyronitrile 491.32
    3,7-dimethyl-1-octanol 224.12
    1-chlorooctane 161.97
    1-chlorotetradecane 66.45
    n-nonane 47.93
    undecane 33.0
    tert-butylcyclohexane 82.59
    cyclooctane 61.2
    cyclopentanol 400.43
    tetrahydropyran 849.8
    tert-amyl methyl ether 332.78
    2,5,8-trioxanonane 479.6
    1-hexene 451.38
    2-isopropoxyethanol 248.57
    2,2,2-trifluoroethanol 99.3
    methyl butyrate 399.12

    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
Parsley leaf (Germany) 2a 8000-68-8 Petroselinum crispun (Miller) A.W. Hill cv Hamburger Schnitt,fam. Apiaceae 0.01%
Parsley leaf (Germany) 2b 800-68-8 Petroselinum crispun (Miller) A.W. Hill cv Mooskrause, fam. Apiaceae 0.01%