3,7-Dimethylnona-1,6-dien-3-yl acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    61931-80-4

    Molecular formula
    C13H22O2

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 78.88%
    Fruity 76.35%
    Citrus 69.95%
    Fresh 63.53%
    Sweet 59.56%
    Bergamot 58.92%
    Woody 58.63%
    Green 55.28%
    Rose 49.79%
    Lavender 48.8%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.25 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point est.
    105.45 ˚C

  • Synonyms

    • 3,7-dimethylnona-1,6-dien-3-yl acetate
    • 61931-80-4
    • 1,6-Nonadien-3-ol, 3,7-dimethyl-, 3-acetate
    • DTXSID50866895
    • IVSZEHYDOLAREK-UHFFFAOYSA-N
    • NS00012621

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1429.26
    methanol 1373.91
    isopropanol 1282.77
    water 0.65
    ethyl acetate 1092.34
    n-propanol 1213.9
    acetone 971.56
    n-butanol 1313.18
    acetonitrile 536.34
    DMF 1494.4
    toluene 849.91
    isobutanol 1058.38
    1,4-dioxane 2031.33
    methyl acetate 792.15
    THF 2460.56
    2-butanone 1026.56
    n-pentanol 985.33
    sec-butanol 1375.0
    n-hexane 473.18
    ethylene glycol 142.93
    NMP 1479.6
    cyclohexane 475.65
    DMSO 897.56
    n-butyl acetate 865.7
    n-octanol 474.97
    chloroform 2415.43
    n-propyl acetate 558.73
    acetic acid 687.93
    dichloromethane 1674.85
    cyclohexanone 1551.78
    propylene glycol 346.39
    isopropyl acetate 856.85
    DMAc 1818.38
    2-ethoxyethanol 858.09
    isopentanol 1276.7
    n-heptane 144.78
    ethyl formate 446.07
    1,2-dichloroethane 1082.48
    n-hexanol 1284.92
    2-methoxyethanol 1281.87
    isobutyl acetate 455.19
    tetrachloromethane 361.94
    n-pentyl acetate 503.0
    transcutol 2995.07
    n-heptanol 408.01
    ethylbenzene 479.0
    MIBK 680.81
    2-propoxyethanol 1368.41
    tert-butanol 1894.17
    MTBE 2008.62
    2-butoxyethanol 556.76
    propionic acid 600.08
    o-xylene 526.92
    formic acid 213.19
    diethyl ether 1649.76
    m-xylene 635.92
    p-xylene 536.25
    chlorobenzene 706.61
    dimethyl carbonate 275.49
    n-octane 57.69
    formamide 244.61
    cyclopentanone 1234.03
    2-pentanone 948.23
    anisole 745.98
    cyclopentyl methyl ether 1464.6
    gamma-butyrolactone 1209.78
    1-methoxy-2-propanol 1205.28
    pyridine 994.1
    3-pentanone 757.91
    furfural 886.65
    n-dodecane 46.37
    diethylene glycol 704.17
    diisopropyl ether 578.67
    tert-amyl alcohol 1688.46
    acetylacetone 833.76
    n-hexadecane 53.41
    acetophenone 543.53
    methyl propionate 741.56
    isopentyl acetate 902.43
    trichloroethylene 1762.52
    n-nonanol 427.06
    cyclohexanol 1397.68
    benzyl alcohol 517.49
    2-ethylhexanol 684.63
    isooctanol 331.7
    dipropyl ether 611.14
    1,2-dichlorobenzene 610.6
    ethyl lactate 263.42
    propylene carbonate 713.21
    n-methylformamide 487.61
    2-pentanol 1079.4
    n-pentane 313.24
    1-propoxy-2-propanol 933.02
    1-methoxy-2-propyl acetate 889.82
    2-(2-methoxypropoxy) propanol 736.27
    mesitylene 365.77
    ε-caprolactone 1370.2
    p-cymene 224.25
    epichlorohydrin 1517.33
    1,1,1-trichloroethane 1289.44
    2-aminoethanol 428.96
    morpholine-4-carbaldehyde 1510.54
    sulfolane 1211.74
    2,2,4-trimethylpentane 178.69
    2-methyltetrahydrofuran 2231.44
    n-hexyl acetate 918.68
    isooctane 120.31
    2-(2-butoxyethoxy)ethanol 964.74
    sec-butyl acetate 553.9
    tert-butyl acetate 998.82
    decalin 233.47
    glycerin 374.15
    diglyme 1381.82
    acrylic acid 382.68
    isopropyl myristate 316.96
    n-butyric acid 988.58
    acetyl acetate 559.41
    di(2-ethylhexyl) phthalate 300.28
    ethyl propionate 582.49
    nitromethane 776.98
    1,2-diethoxyethane 1112.46
    benzonitrile 582.26
    trioctyl phosphate 200.23
    1-bromopropane 1104.35
    gamma-valerolactone 1565.37
    n-decanol 300.22
    triethyl phosphate 254.15
    4-methyl-2-pentanol 624.29
    propionitrile 645.67
    vinylene carbonate 586.98
    1,1,2-trichlorotrifluoroethane 928.68
    DMS 563.75
    cumene 323.96
    2-octanol 324.18
    2-hexanone 697.96
    octyl acetate 401.27
    limonene 427.99
    1,2-dimethoxyethane 1509.91
    ethyl orthosilicate 284.35
    tributyl phosphate 281.13
    diacetone alcohol 910.97
    N,N-dimethylaniline 544.16
    acrylonitrile 537.7
    aniline 723.09
    1,3-propanediol 666.74
    bromobenzene 774.86
    dibromomethane 1287.63
    1,1,2,2-tetrachloroethane 1732.77
    2-methyl-cyclohexyl acetate 540.85
    tetrabutyl urea 358.67
    diisobutyl methanol 303.09
    2-phenylethanol 620.5
    styrene 540.16
    dioctyl adipate 427.54
    dimethyl sulfate 401.43
    ethyl butyrate 525.09
    methyl lactate 346.62
    butyl lactate 364.66
    diethyl carbonate 332.07
    propanediol butyl ether 601.38
    triethyl orthoformate 403.25
    p-tert-butyltoluene 232.93
    methyl 4-tert-butylbenzoate 520.75
    morpholine 2456.08
    tert-butylamine 1322.14
    n-dodecanol 219.89
    dimethoxymethane 1017.84
    ethylene carbonate 554.87
    cyrene 514.52
    2-ethoxyethyl acetate 642.86
    2-ethylhexyl acetate 746.09
    1,2,4-trichlorobenzene 740.05
    4-methylpyridine 1434.44
    dibutyl ether 663.05
    2,6-dimethyl-4-heptanol 303.09
    DEF 1157.62
    dimethyl isosorbide 1012.09
    tetrachloroethylene 996.58
    eugenol 463.46
    triacetin 642.19
    span 80 619.32
    1,4-butanediol 284.83
    1,1-dichloroethane 1327.6
    2-methyl-1-pentanol 1040.7
    methyl formate 320.36
    2-methyl-1-butanol 1253.58
    n-decane 86.14
    butyronitrile 840.61
    3,7-dimethyl-1-octanol 516.26
    1-chlorooctane 344.99
    1-chlorotetradecane 129.63
    n-nonane 86.88
    undecane 61.03
    tert-butylcyclohexane 232.54
    cyclooctane 157.59
    cyclopentanol 1013.43
    tetrahydropyran 2525.12
    tert-amyl methyl ether 1480.99
    2,5,8-trioxanonane 992.02
    1-hexene 983.38
    2-isopropoxyethanol 694.04
    2,2,2-trifluoroethanol 186.44
    methyl butyrate 682.07

    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