3,7-Dimethylnona-2,6-dienal

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  • Identifiers

    CAS number
    41448-29-7

    Molecular formula
    C11H18O

    SMILES
    CCC(=CCCC(=CC=O)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.55%
    Citrus 71.91%
    Herbal 61.98%
    Fresh 60.5%
    Floral 55.3%
    Lemon 51.32%
    Sweet 48.7%
    Green 47.61%
    Aldehydic 45.13%
    Waxy 43.38%

     

    Flavor
    Sweet 65.49%
    Citrus 62.22%
    Floral 62.17%
    Green 48.71%
    Waxy 44.85%
    Herbal 43.67%
    Fruity 43.57%
    Spicy 42.36%
    Bitter 41.64%
    Lemon 41.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.01 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    233°C

    Flash point

    • 96.79 ˚C est.

  • Synonyms

    • 3,7-Dimethylnona-2,6-dienal
    • 41448-29-7
    • Ethyl citral
    • DTXSID5068312
    • Methylcitral
    • SCHEMBL2563046
    • NS00012382
    • 255-368-7

  • Applications

    3,7-Dimethylnona-2,6-dienal is an aldehyde with conjugated double bonds that is primarily used as a fragrance ingredient in perfumery and cosmetics; it is also employed as an odorant in household and personal care products to develop and enhance specific aroma notes; it serves as a precursor or intermediate in the synthesis of more complex aroma chemicals for the fragrance industry; and, subject to local regulations, it may be evaluated for commercial fragrance formulation applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 948.0
    methanol 717.36
    isopropanol 755.45
    water 0.28
    ethyl acetate 728.24
    n-propanol 732.97
    acetone 537.33
    n-butanol 740.42
    acetonitrile 539.8
    DMF 358.19
    toluene 367.39
    isobutanol 460.31
    1,4-dioxane 1458.07
    methyl acetate 504.93
    THF 1116.53
    2-butanone 621.95
    n-pentanol 469.32
    sec-butanol 613.35
    n-hexane 216.7
    ethylene glycol 68.29
    NMP 293.8
    cyclohexane 285.55
    DMSO 363.15
    n-butyl acetate 568.31
    n-octanol 150.45
    chloroform 1328.03
    n-propyl acetate 391.75
    acetic acid 351.67
    dichloromethane 912.14
    cyclohexanone 705.72
    propylene glycol 165.26
    isopropyl acetate 371.66
    DMAc 329.34
    2-ethoxyethanol 448.5
    isopentanol 523.91
    n-heptane 104.41
    ethyl formate 255.63
    1,2-dichloroethane 663.41
    n-hexanol 625.67
    2-methoxyethanol 670.86
    isobutyl acetate 242.53
    tetrachloromethane 223.16
    n-pentyl acetate 218.71
    transcutol 1798.32
    n-heptanol 182.6
    ethylbenzene 186.14
    MIBK 283.48
    2-propoxyethanol 661.72
    tert-butanol 869.34
    MTBE 815.32
    2-butoxyethanol 279.39
    propionic acid 296.45
    o-xylene 187.41
    formic acid 85.29
    diethyl ether 1100.88
    m-xylene 231.35
    p-xylene 214.9
    chlorobenzene 338.66
    dimethyl carbonate 79.45
    n-octane 29.06
    formamide 119.99
    cyclopentanone 513.52
    2-pentanone 510.85
    anisole 322.4
    cyclopentyl methyl ether 568.85
    gamma-butyrolactone 457.23
    1-methoxy-2-propanol 522.13
    pyridine 836.62
    3-pentanone 367.36
    furfural 437.63
    n-dodecane 16.27
    diethylene glycol 312.63
    diisopropyl ether 242.37
    tert-amyl alcohol 598.69
    acetylacetone 351.62
    n-hexadecane 19.1
    acetophenone 232.69
    methyl propionate 338.03
    isopentyl acetate 463.52
    trichloroethylene 1010.31
    n-nonanol 139.51
    cyclohexanol 564.1
    benzyl alcohol 246.34
    2-ethylhexanol 335.04
    isooctanol 148.86
    dipropyl ether 492.92
    1,2-dichlorobenzene 270.2
    ethyl lactate 125.15
    propylene carbonate 276.5
    n-methylformamide 200.94
    2-pentanol 492.61
    n-pentane 164.78
    1-propoxy-2-propanol 534.55
    1-methoxy-2-propyl acetate 445.9
    2-(2-methoxypropoxy) propanol 302.61
    mesitylene 142.98
    ε-caprolactone 572.66
    p-cymene 115.29
    epichlorohydrin 727.26
    1,1,1-trichloroethane 714.83
    2-aminoethanol 215.84
    morpholine-4-carbaldehyde 493.24
    sulfolane 395.79
    2,2,4-trimethylpentane 56.11
    2-methyltetrahydrofuran 1037.61
    n-hexyl acetate 303.43
    isooctane 50.63
    2-(2-butoxyethoxy)ethanol 418.25
    sec-butyl acetate 281.34
    tert-butyl acetate 386.5
    decalin 92.08
    glycerin 166.0
    diglyme 766.42
    acrylic acid 188.43
    isopropyl myristate 122.28
    n-butyric acid 561.67
    acetyl acetate 271.44
    di(2-ethylhexyl) phthalate 106.19
    ethyl propionate 299.56
    nitromethane 392.84
    1,2-diethoxyethane 736.64
    benzonitrile 306.29
    trioctyl phosphate 69.19
    1-bromopropane 609.51
    gamma-valerolactone 713.1
    n-decanol 101.77
    triethyl phosphate 129.33
    4-methyl-2-pentanol 237.8
    propionitrile 486.3
    vinylene carbonate 258.82
    1,1,2-trichlorotrifluoroethane 397.79
    DMS 203.94
    cumene 123.22
    2-octanol 115.23
    2-hexanone 409.33
    octyl acetate 137.14
    limonene 206.1
    1,2-dimethoxyethane 794.9
    ethyl orthosilicate 147.28
    tributyl phosphate 98.26
    diacetone alcohol 347.17
    N,N-dimethylaniline 193.82
    acrylonitrile 400.43
    aniline 400.15
    1,3-propanediol 360.4
    bromobenzene 350.35
    dibromomethane 748.88
    1,1,2,2-tetrachloroethane 857.34
    2-methyl-cyclohexyl acetate 257.82
    tetrabutyl urea 112.86
    diisobutyl methanol 189.38
    2-phenylethanol 301.8
    styrene 234.27
    dioctyl adipate 168.1
    dimethyl sulfate 98.18
    ethyl butyrate 375.7
    methyl lactate 116.83
    butyl lactate 161.14
    diethyl carbonate 211.91
    propanediol butyl ether 228.89
    triethyl orthoformate 254.95
    p-tert-butyltoluene 121.31
    methyl 4-tert-butylbenzoate 188.61
    morpholine 1661.8
    tert-butylamine 633.14
    n-dodecanol 77.66
    dimethoxymethane 343.36
    ethylene carbonate 243.25
    cyrene 189.14
    2-ethoxyethyl acetate 321.87
    2-ethylhexyl acetate 360.94
    1,2,4-trichlorobenzene 301.17
    4-methylpyridine 714.11
    dibutyl ether 308.73
    2,6-dimethyl-4-heptanol 189.38
    DEF 470.73
    dimethyl isosorbide 451.83
    tetrachloroethylene 581.25
    eugenol 188.47
    triacetin 245.97
    span 80 267.52
    1,4-butanediol 120.72
    1,1-dichloroethane 802.37
    2-methyl-1-pentanol 349.7
    methyl formate 119.74
    2-methyl-1-butanol 453.89
    n-decane 32.83
    butyronitrile 580.16
    3,7-dimethyl-1-octanol 180.65
    1-chlorooctane 125.07
    1-chlorotetradecane 46.89
    n-nonane 35.08
    undecane 21.82
    tert-butylcyclohexane 83.67
    cyclooctane 73.26
    cyclopentanol 386.04
    tetrahydropyran 1652.15
    tert-amyl methyl ether 479.02
    2,5,8-trioxanonane 480.13
    1-hexene 545.18
    2-isopropoxyethanol 335.29
    2,2,2-trifluoroethanol 74.24
    methyl butyrate 398.73

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.11 % Category 7A
Rinse-off products applied to the hair with some hand contact
 1.2 %
Category 2
Products applied to the axillae
 0.032 % Category 7B
Leave-on products applied to the hair with some hand contact
 1.2 %
Category 3
Products applied to the face/body using fingertips
 0.65 % Category 8
Products with significant anogenital exposure
 0.051 %
Category 4
Products related to fine fragrance
 0.6 % Category 9
Products with body and hand exposure, primarily rinse off
 0.16 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.15 % Category 10A
Household care products with mostly hand contact
 0.16 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.15 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 4.2 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.15 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.051 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.051 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.051 %
Category 6
Products with oral and lip exposure
 0.16 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction