2,4-Heptanedione, 3,5-dimethyl

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H16O2

    SMILES
    CCC(C)C(=O)C(C)C(=O)C

    Retention indicies (RI)

    • Carbowax: 1523.0

  • Odor profile

    Fruity 83.35%
    Ketonic 43.0%
    Herbal 41.87%
    Caramellic 32.76%
    Berry 29.37%
    Burnt 27.03%
    Mint 26.55%
    Floral 25.28%
    Cheesy 25.12%
    Fresh 24.44%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point est.
    80.16 ˚C

  • Synonyms

    • 2,4-Heptanedione, 3,5-dimethyl
    • SCHEMBL3668894
    • XYXWCCLFDBKNCB-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 949.81
    methanol 1038.48
    isopropanol 1243.32
    water 10.22
    ethyl acetate 547.45
    n-propanol 972.47
    acetone 825.95
    n-butanol 844.97
    acetonitrile 1089.95
    DMF 1082.98
    toluene 453.75
    isobutanol 866.22
    1,4-dioxane 1526.83
    methyl acetate 709.34
    THF 1398.91
    2-butanone 810.44
    n-pentanol 639.83
    sec-butanol 1130.08
    n-hexane 170.84
    ethylene glycol 231.92
    NMP 1135.88
    cyclohexane 275.83
    DMSO 715.86
    n-butyl acetate 555.26
    n-octanol 478.87
    chloroform 2896.54
    n-propyl acetate 359.62
    acetic acid 677.97
    dichloromethane 2315.48
    cyclohexanone 1310.66
    propylene glycol 349.71
    isopropyl acetate 371.26
    DMAc 890.66
    2-ethoxyethanol 562.51
    isopentanol 713.52
    n-heptane 104.91
    ethyl formate 571.36
    1,2-dichloroethane 1106.96
    n-hexanol 773.24
    2-methoxyethanol 873.99
    isobutyl acetate 264.82
    tetrachloromethane 591.61
    n-pentyl acetate 405.82
    transcutol 1028.66
    n-heptanol 398.75
    ethylbenzene 336.14
    MIBK 382.7
    2-propoxyethanol 751.24
    tert-butanol 1380.57
    MTBE 853.25
    2-butoxyethanol 487.28
    propionic acid 687.06
    o-xylene 406.03
    formic acid 232.88
    diethyl ether 626.07
    m-xylene 362.87
    p-xylene 492.03
    chlorobenzene 711.36
    dimethyl carbonate 176.36
    n-octane 63.73
    formamide 313.51
    cyclopentanone 1200.68
    2-pentanone 567.96
    anisole 506.41
    cyclopentyl methyl ether 680.66
    gamma-butyrolactone 1304.32
    1-methoxy-2-propanol 653.08
    pyridine 994.41
    3-pentanone 457.02
    furfural 1130.2
    n-dodecane 56.25
    diethylene glycol 528.57
    diisopropyl ether 228.81
    tert-amyl alcohol 1074.82
    acetylacetone 567.97
    n-hexadecane 63.98
    acetophenone 463.82
    methyl propionate 428.96
    isopentyl acetate 524.22
    trichloroethylene 2116.75
    n-nonanol 372.87
    cyclohexanol 984.09
    benzyl alcohol 476.36
    2-ethylhexanol 450.9
    isooctanol 319.28
    dipropyl ether 326.63
    1,2-dichlorobenzene 642.11
    ethyl lactate 221.99
    propylene carbonate 769.02
    n-methylformamide 622.52
    2-pentanol 633.47
    n-pentane 148.86
    1-propoxy-2-propanol 558.62
    1-methoxy-2-propyl acetate 425.34
    2-(2-methoxypropoxy) propanol 380.46
    mesitylene 255.19
    ε-caprolactone 1049.41
    p-cymene 246.88
    epichlorohydrin 1279.53
    1,1,1-trichloroethane 1372.65
    2-aminoethanol 466.31
    morpholine-4-carbaldehyde 1042.57
    sulfolane 1309.02
    2,2,4-trimethylpentane 108.99
    2-methyltetrahydrofuran 1232.08
    n-hexyl acetate 635.96
    isooctane 75.38
    2-(2-butoxyethoxy)ethanol 476.95
    sec-butyl acetate 279.92
    tert-butyl acetate 415.41
    decalin 143.83
    glycerin 361.44
    diglyme 826.92
    acrylic acid 558.14
    isopropyl myristate 228.49
    n-butyric acid 781.63
    acetyl acetate 383.76
    di(2-ethylhexyl) phthalate 208.63
    ethyl propionate 321.57
    nitromethane 898.46
    1,2-diethoxyethane 477.37
    benzonitrile 749.49
    trioctyl phosphate 171.3
    1-bromopropane 819.85
    gamma-valerolactone 1373.17
    n-decanol 262.12
    triethyl phosphate 208.88
    4-methyl-2-pentanol 349.26
    propionitrile 846.62
    vinylene carbonate 756.12
    1,1,2-trichlorotrifluoroethane 801.6
    DMS 367.94
    cumene 262.6
    2-octanol 352.03
    2-hexanone 478.69
    octyl acetate 292.41
    limonene 356.64
    1,2-dimethoxyethane 904.16
    ethyl orthosilicate 198.04
    tributyl phosphate 192.39
    diacetone alcohol 501.21
    N,N-dimethylaniline 369.19
    acrylonitrile 905.89
    aniline 574.79
    1,3-propanediol 633.42
    bromobenzene 739.97
    dibromomethane 1578.25
    1,1,2,2-tetrachloroethane 1727.39
    2-methyl-cyclohexyl acetate 348.14
    tetrabutyl urea 239.92
    diisobutyl methanol 245.95
    2-phenylethanol 480.29
    styrene 382.77
    dioctyl adipate 285.67
    dimethyl sulfate 313.24
    ethyl butyrate 373.45
    methyl lactate 264.2
    butyl lactate 300.97
    diethyl carbonate 274.27
    propanediol butyl ether 466.8
    triethyl orthoformate 264.74
    p-tert-butyltoluene 238.0
    methyl 4-tert-butylbenzoate 406.37
    morpholine 1470.51
    tert-butylamine 935.35
    n-dodecanol 197.99
    dimethoxymethane 505.01
    ethylene carbonate 610.86
    cyrene 378.79
    2-ethoxyethyl acetate 428.64
    2-ethylhexyl acetate 397.59
    1,2,4-trichlorobenzene 755.65
    4-methylpyridine 1066.59
    dibutyl ether 377.7
    2,6-dimethyl-4-heptanol 245.95
    DEF 648.42
    dimethyl isosorbide 600.61
    tetrachloroethylene 1152.09
    eugenol 381.81
    triacetin 409.01
    span 80 371.14
    1,4-butanediol 327.81
    1,1-dichloroethane 1495.12
    2-methyl-1-pentanol 571.33
    methyl formate 501.39
    2-methyl-1-butanol 754.16
    n-decane 94.18
    butyronitrile 866.48
    3,7-dimethyl-1-octanol 373.44
    1-chlorooctane 319.72
    1-chlorotetradecane 127.15
    n-nonane 97.11
    undecane 71.39
    tert-butylcyclohexane 139.74
    cyclooctane 82.46
    cyclopentanol 1056.84
    tetrahydropyran 1299.07
    tert-amyl methyl ether 582.04
    2,5,8-trioxanonane 547.81
    1-hexene 455.11
    2-isopropoxyethanol 436.09
    2,2,2-trifluoroethanol 262.62
    methyl butyrate 478.29

    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
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 0.6%