2,7-Octanedione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1626-09-1

    Molecular formula
    C8H14O2

    SMILES
    CC(=O)CCCCC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 66.15%
    Herbal 49.86%
    Ketonic 44.21%
    Earthy 43.28%
    Green 41.45%
    Caramellic 40.16%
    Fresh 39.32%
    Burnt 38.3%
    Cheesy 36.43%
    Sweet 35.83%

     

    Flavor
    Sweet 64.97%
    Fruity 58.7%
    Ethereal 47.88%
    Ether 39.5%
    Woody 34.76%
    Fruit 34.7%
    Herbal 33.14%
    Earthy 33.07%
    Spicy 31.71%
    Banana 27.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.61 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 91.68 ˚C est.

  • Synonyms

    • 2,7-OCTANEDIONE
    • 1626-09-1
    • UNII-PSE2579CPJ
    • PSE2579CPJ
    • NSC-108364
    • DTXSID90870895
    • NSC 108364
    • RefChem:83561
    • DTXCID10818577
    • NZGDDIUIXYFYFO-UHFFFAOYSA-N
    • octane-2,7-dione
    • MFCD00219019
    • SCHEMBL620309
    • BAA62609
    • NSC108364
    • AKOS025296048
    • BS-49062
    • SY423125
    • DB-244707
    • E85198
    • Q26840833
    • 1626-09-1

  • Applications

    2,7-Octanedione (CAS 1626-09-1) is primarily used as a chemical intermediate and building block in specialty chemical manufacture. In perfumery and cosmetics, it serves as an odor-active intermediate or fragrance precursor for diketone-containing aroma compounds. It is commonly evaluated as a synthesis intermediate for fragrance, cosmetic, and household-product ingredients. In polymer and materials science, it can function as a reactive building block for diketone-containing monomers or crosslinkers. In coatings and inks, it may be used as a reactive intermediate or formulation component. It is also employed in research and development as a precursor in organic synthesis, with uses governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 536.08
    methanol 877.17
    isopropanol 394.19
    water 15.96
    ethyl acetate 260.31
    n-propanol 410.44
    acetone 658.46
    n-butanol 313.61
    acetonitrile 395.17
    DMF 1454.44
    toluene 118.64
    isobutanol 275.77
    1,4-dioxane 404.19
    methyl acetate 379.44
    THF 638.32
    2-butanone 502.16
    n-pentanol 195.3
    sec-butanol 344.76
    n-hexane 85.05
    ethylene glycol 248.28
    NMP 1148.9
    cyclohexane 56.29
    DMSO 1055.03
    n-butyl acetate 156.27
    n-octanol 105.06
    chloroform 1051.49
    n-propyl acetate 153.16
    acetic acid 757.09
    dichloromethane 705.56
    cyclohexanone 515.88
    propylene glycol 352.99
    isopropyl acetate 165.34
    DMAc 1191.64
    2-ethoxyethanol 355.87
    isopentanol 232.98
    n-heptane 21.57
    ethyl formate 249.73
    1,2-dichloroethane 435.86
    n-hexanol 171.37
    2-methoxyethanol 722.87
    isobutyl acetate 101.98
    tetrachloromethane 243.54
    n-pentyl acetate 118.91
    transcutol 817.69
    n-heptanol 75.63
    ethylbenzene 84.86
    MIBK 162.67
    2-propoxyethanol 326.8
    tert-butanol 446.62
    MTBE 308.02
    2-butoxyethanol 163.36
    propionic acid 601.61
    o-xylene 104.55
    formic acid 485.8
    diethyl ether 263.64
    m-xylene 84.16
    p-xylene 117.86
    chlorobenzene 215.73
    dimethyl carbonate 140.56
    n-octane 8.44
    formamide 572.42
    cyclopentanone 679.97
    2-pentanone 294.67
    anisole 192.22
    cyclopentyl methyl ether 280.23
    gamma-butyrolactone 740.92
    1-methoxy-2-propanol 496.33
    pyridine 391.54
    3-pentanone 263.46
    furfural 684.48
    n-dodecane 6.4
    diethylene glycol 312.55
    diisopropyl ether 65.92
    tert-amyl alcohol 389.18
    acetylacetone 321.86
    n-hexadecane 7.17
    acetophenone 210.28
    methyl propionate 278.16
    isopentyl acetate 150.72
    trichloroethylene 923.85
    n-nonanol 88.87
    cyclohexanol 262.66
    benzyl alcohol 176.85
    2-ethylhexanol 96.05
    isooctanol 58.14
    dipropyl ether 96.14
    1,2-dichlorobenzene 218.85
    ethyl lactate 125.09
    propylene carbonate 384.89
    n-methylformamide 738.78
    2-pentanol 199.24
    n-pentane 51.51
    1-propoxy-2-propanol 211.51
    1-methoxy-2-propyl acetate 183.8
    2-(2-methoxypropoxy) propanol 219.13
    mesitylene 56.17
    ε-caprolactone 447.3
    p-cymene 49.82
    epichlorohydrin 602.44
    1,1,1-trichloroethane 530.19
    2-aminoethanol 397.63
    morpholine-4-carbaldehyde 706.21
    sulfolane 1006.18
    2,2,4-trimethylpentane 27.9
    2-methyltetrahydrofuran 473.3
    n-hexyl acetate 208.65
    isooctane 13.74
    2-(2-butoxyethoxy)ethanol 262.31
    sec-butyl acetate 117.51
    tert-butyl acetate 192.51
    decalin 34.9
    glycerin 484.97
    diglyme 423.95
    acrylic acid 596.79
    isopropyl myristate 63.83
    n-butyric acid 451.3
    acetyl acetate 194.33
    di(2-ethylhexyl) phthalate 89.91
    ethyl propionate 160.46
    nitromethane 984.44
    1,2-diethoxyethane 168.17
    benzonitrile 206.33
    trioctyl phosphate 55.63
    1-bromopropane 289.49
    gamma-valerolactone 754.85
    n-decanol 59.25
    triethyl phosphate 84.2
    4-methyl-2-pentanol 98.33
    propionitrile 291.02
    vinylene carbonate 349.04
    1,1,2-trichlorotrifluoroethane 773.32
    DMS 194.51
    cumene 62.65
    2-octanol 56.32
    2-hexanone 205.21
    octyl acetate 89.37
    limonene 76.48
    1,2-dimethoxyethane 474.91
    ethyl orthosilicate 82.74
    tributyl phosphate 80.42
    diacetone alcohol 279.76
    N,N-dimethylaniline 150.27
    acrylonitrile 404.66
    aniline 243.49
    1,3-propanediol 404.81
    bromobenzene 202.24
    dibromomethane 495.84
    1,1,2,2-tetrachloroethane 829.41
    2-methyl-cyclohexyl acetate 116.59
    tetrabutyl urea 105.53
    diisobutyl methanol 58.01
    2-phenylethanol 140.98
    styrene 110.96
    dioctyl adipate 111.2
    dimethyl sulfate 320.33
    ethyl butyrate 110.05
    methyl lactate 249.2
    butyl lactate 138.28
    diethyl carbonate 87.06
    propanediol butyl ether 245.56
    triethyl orthoformate 94.83
    p-tert-butyltoluene 50.25
    methyl 4-tert-butylbenzoate 176.59
    morpholine 574.5
    tert-butylamine 271.76
    n-dodecanol 40.81
    dimethoxymethane 354.1
    ethylene carbonate 267.49
    cyrene 226.86
    2-ethoxyethyl acetate 173.73
    2-ethylhexyl acetate 124.07
    1,2,4-trichlorobenzene 311.17
    4-methylpyridine 401.42
    dibutyl ether 99.2
    2,6-dimethyl-4-heptanol 58.01
    DEF 423.47
    dimethyl isosorbide 281.67
    tetrachloroethylene 583.76
    eugenol 163.62
    triacetin 231.99
    span 80 197.49
    1,4-butanediol 161.33
    1,1-dichloroethane 512.57
    2-methyl-1-pentanol 171.2
    methyl formate 434.99
    2-methyl-1-butanol 259.94
    n-decane 12.92
    butyronitrile 250.55
    3,7-dimethyl-1-octanol 107.0
    1-chlorooctane 61.0
    1-chlorotetradecane 20.17
    n-nonane 13.16
    undecane 8.67
    tert-butylcyclohexane 34.13
    cyclooctane 17.63
    cyclopentanol 340.03
    tetrahydropyran 372.97
    tert-amyl methyl ether 248.49
    2,5,8-trioxanonane 292.27
    1-hexene 175.87
    2-isopropoxyethanol 212.58
    2,2,2-trifluoroethanol 377.01
    methyl butyrate 223.87

    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