2,4-Dimethyl-5,6-dithia-2,7-nonadienal 5-oxide

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H14O2S2

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

  • Odor profile

    Onion 57.92%
    Sulfurous 43.65%
    Pungent 43.61%
    Garlic 41.78%
    Roasted 39.63%
    Alliaceous 39.18%
    Cooked 35.1%
    Meaty 31.11%
    Savory 31.04%
    Radish 29.9%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.95 (neutral)

    Molecular weight
    218.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point est.
    161.26 ˚C

  • Synonyms

    • 2,4-dimethyl-5,6-dithia-2,7-nonadienal 5-oxide
    • QFRRWTCSHVAIAV-DVBIZMGNSA-N
    • 2,4-Dimethyl-5,6-dithia-2,7-nonadienal, 5-oxide

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.83
    methanol 143.79
    isopropanol 72.35
    water 1.18
    ethyl acetate 123.63
    n-propanol 81.69
    acetone 186.16
    n-butanol 79.67
    acetonitrile 156.26
    DMF 445.36
    toluene 122.73
    isobutanol 61.46
    1,4-dioxane 247.38
    methyl acetate 176.02
    THF 304.0
    2-butanone 178.79
    n-pentanol 80.6
    sec-butanol 77.59
    n-hexane 3.9
    ethylene glycol 49.31
    NMP 421.64
    cyclohexane 14.1
    DMSO 288.95
    n-butyl acetate 141.09
    n-octanol 61.23
    chloroform 424.75
    n-propyl acetate 112.29
    acetic acid 165.58
    dichloromethane 333.82
    cyclohexanone 306.86
    propylene glycol 54.12
    isopropyl acetate 82.19
    DMAc 352.04
    2-ethoxyethanol 159.06
    isopentanol 72.0
    n-heptane 7.06
    ethyl formate 138.34
    1,2-dichloroethane 213.21
    n-hexanol 95.91
    2-methoxyethanol 213.92
    isobutyl acetate 76.93
    tetrachloromethane 53.2
    n-pentyl acetate 100.44
    transcutol 435.44
    n-heptanol 56.25
    ethylbenzene 66.29
    MIBK 98.53
    2-propoxyethanol 178.13
    tert-butanol 97.19
    MTBE 83.46
    2-butoxyethanol 124.34
    propionic acid 104.76
    o-xylene 89.21
    formic acid 96.07
    diethyl ether 73.52
    m-xylene 89.2
    p-xylene 78.62
    chlorobenzene 178.75
    dimethyl carbonate 74.26
    n-octane 5.04
    formamide 147.11
    cyclopentanone 346.28
    2-pentanone 132.91
    anisole 155.97
    cyclopentyl methyl ether 137.28
    gamma-butyrolactone 337.67
    1-methoxy-2-propanol 158.02
    pyridine 273.42
    3-pentanone 108.15
    furfural 436.39
    n-dodecane 5.35
    diethylene glycol 173.47
    diisopropyl ether 29.3
    tert-amyl alcohol 90.35
    acetylacetone 185.51
    n-hexadecane 6.2
    acetophenone 183.39
    methyl propionate 113.3
    isopentyl acetate 126.77
    trichloroethylene 525.17
    n-nonanol 55.01
    cyclohexanol 111.66
    benzyl alcohol 150.81
    2-ethylhexanol 70.07
    isooctanol 48.25
    dipropyl ether 57.54
    1,2-dichlorobenzene 181.56
    ethyl lactate 89.23
    propylene carbonate 210.93
    n-methylformamide 199.0
    2-pentanol 58.72
    n-pentane 4.86
    1-propoxy-2-propanol 140.39
    1-methoxy-2-propyl acetate 158.78
    2-(2-methoxypropoxy) propanol 134.78
    mesitylene 57.44
    ε-caprolactone 255.45
    p-cymene 53.18
    epichlorohydrin 358.88
    1,1,1-trichloroethane 192.81
    2-aminoethanol 75.75
    morpholine-4-carbaldehyde 402.81
    sulfolane 397.34
    2,2,4-trimethylpentane 6.67
    2-methyltetrahydrofuran 213.1
    n-hexyl acetate 125.58
    isooctane 5.26
    2-(2-butoxyethoxy)ethanol 168.97
    sec-butyl acetate 79.83
    tert-butyl acetate 108.09
    decalin 11.86
    glycerin 96.91
    diglyme 297.43
    acrylic acid 120.91
    isopropyl myristate 53.15
    n-butyric acid 133.55
    acetyl acetate 102.09
    di(2-ethylhexyl) phthalate 69.11
    ethyl propionate 90.89
    nitromethane 360.18
    1,2-diethoxyethane 143.43
    benzonitrile 224.2
    trioctyl phosphate 45.81
    1-bromopropane 85.71
    gamma-valerolactone 443.67
    n-decanol 43.26
    triethyl phosphate 66.16
    4-methyl-2-pentanol 42.23
    propionitrile 119.36
    vinylene carbonate 248.17
    1,1,2-trichlorotrifluoroethane 270.13
    DMS 131.12
    cumene 46.78
    2-octanol 43.85
    2-hexanone 120.64
    octyl acetate 68.34
    limonene 73.9
    1,2-dimethoxyethane 245.65
    ethyl orthosilicate 62.99
    tributyl phosphate 56.56
    diacetone alcohol 145.39
    N,N-dimethylaniline 113.18
    acrylonitrile 195.4
    aniline 141.45
    1,3-propanediol 104.57
    bromobenzene 174.86
    dibromomethane 203.4
    1,1,2,2-tetrachloroethane 358.46
    2-methyl-cyclohexyl acetate 104.07
    tetrabutyl urea 82.5
    diisobutyl methanol 46.38
    2-phenylethanol 142.94
    styrene 86.51
    dioctyl adipate 83.25
    dimethyl sulfate 130.53
    ethyl butyrate 103.88
    methyl lactate 100.26
    butyl lactate 103.96
    diethyl carbonate 77.17
    propanediol butyl ether 136.92
    triethyl orthoformate 80.14
    p-tert-butyltoluene 51.18
    methyl 4-tert-butylbenzoate 138.07
    morpholine 256.95
    tert-butylamine 56.27
    n-dodecanol 34.82
    dimethoxymethane 165.67
    ethylene carbonate 175.24
    cyrene 182.92
    2-ethoxyethyl acetate 151.97
    2-ethylhexyl acetate 102.57
    1,2,4-trichlorobenzene 219.86
    4-methylpyridine 278.23
    dibutyl ether 59.69
    2,6-dimethyl-4-heptanol 46.38
    DEF 168.89
    dimethyl isosorbide 241.71
    tetrachloroethylene 215.03
    eugenol 147.58
    triacetin 147.07
    span 80 118.0
    1,4-butanediol 62.47
    1,1-dichloroethane 188.02
    2-methyl-1-pentanol 77.93
    methyl formate 185.73
    2-methyl-1-butanol 69.36
    n-decane 8.33
    butyronitrile 132.58
    3,7-dimethyl-1-octanol 66.35
    1-chlorooctane 41.16
    1-chlorotetradecane 19.08
    n-nonane 7.17
    undecane 6.45
    tert-butylcyclohexane 10.39
    cyclooctane 6.14
    cyclopentanol 110.78
    tetrahydropyran 179.56
    tert-amyl methyl ether 76.4
    2,5,8-trioxanonane 214.01
    1-hexene 24.88
    2-isopropoxyethanol 119.63
    2,2,2-trifluoroethanol 84.51
    methyl butyrate 132.69

    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
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.44%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.23%