3,8-Dimethylundecane

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  • Identifiers

    CAS number
    17301-30-3

    Molecular formula
    C13H28

    SMILES
    CCCC(C)CCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 55.77%
    Oily 34.97%
    Sweet 34.52%
    Fresh 29.72%
    Gassy 29.48%
    Herbal 26.71%
    Citrus 25.75%
    Fishy 21.2%
    Fatty 20.95%
    Green 20.78%

     

    Flavor
    Alkane 46.58%
    Waxy 27.68%
    Gasoline 23.65%
    Delicate 23.3%
    Leathery 21.33%
    Skunky 20.86%
    Slightly waxy 20.5%
    Yeasty 20.43%
    Bloody 20.25%
    Coumarinic 20.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    9.56 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 87.29 ˚C est.

  • Synonyms

    • 3,8-Dimethylundecane
    • Undecane, 3,8-dimethyl-
    • CHEBI:84243
    • DTXSID50880814
    • Undecane, 3,8dimethyl
    • RefChem:91926
    • DTXCID201022170
    • WOGVWUCXENBLIV-UHFFFAOYSA-N
    • 17301-30-3
    • 3,8-Dimethylundecane #
    • SCHEMBL4452105
    • SCHEMBL4452107
    • UNDECANE,3,8-DIMETHYL-
    • NS00096089
    • Q27157613
    • 17301-30-3

  • Applications

    3,8-Dimethylundecane (CAS 17301-30-3) is a branched hydrocarbon used in multiple industrial applications: as a non-polar solvent and diluent in coatings, inks, and adhesives; as a base-oil component in lubricants and hydraulic fluids; as a processing solvent/diluent in polymer and plastics manufacturing; as an industrial cleaning solvent for degreasing and equipment maintenance; and as a hydrocarbon feedstock/intermediate in petrochemical syntheses. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3191.24
    methanol 1013.1
    isopropanol 4477.69
    water 0.01
    ethyl acetate 10294.79
    n-propanol 4139.66
    acetone 7696.44
    n-butanol 6432.31
    acetonitrile 2479.96
    DMF 2790.52
    toluene 6572.71
    isobutanol 4425.45
    1,4-dioxane 12212.17
    methyl acetate 4813.18
    THF 22538.62
    2-butanone 9201.56
    n-pentanol 4442.63
    sec-butanol 6094.89
    n-hexane 19988.02
    ethylene glycol 65.53
    NMP 2620.68
    cyclohexane 22253.93
    DMSO 2881.46
    n-butyl acetate 27636.14
    n-octanol 3461.58
    chloroform 9273.06
    n-propyl acetate 8346.67
    acetic acid 893.86
    dichloromethane 8610.81
    cyclohexanone 13413.16
    propylene glycol 248.51
    isopropyl acetate 9510.37
    DMAc 2764.48
    2-ethoxyethanol 2753.17
    isopentanol 7838.7
    n-heptane 22508.25
    ethyl formate 2395.97
    1,2-dichloroethane 8865.92
    n-hexanol 11964.02
    2-methoxyethanol 3031.22
    isobutyl acetate 6212.95
    tetrachloromethane 3121.25
    n-pentyl acetate 7592.76
    transcutol 14492.35
    n-heptanol 3889.71
    ethylbenzene 3637.05
    MIBK 8487.69
    2-propoxyethanol 8019.09
    tert-butanol 9563.02
    MTBE 26316.16
    2-butoxyethanol 3954.59
    propionic acid 1406.27
    o-xylene 3336.5
    formic acid 48.73
    diethyl ether 27058.9
    m-xylene 4075.78
    p-xylene 4274.44
    chlorobenzene 4025.7
    dimethyl carbonate 721.76
    n-octane 4560.89
    formamide 113.93
    cyclopentanone 8777.18
    2-pentanone 11521.34
    anisole 4027.85
    cyclopentyl methyl ether 16273.45
    gamma-butyrolactone 5185.7
    1-methoxy-2-propanol 3678.31
    pyridine 7230.27
    3-pentanone 7884.73
    furfural 2594.46
    n-dodecane 1547.09
    diethylene glycol 1316.65
    diisopropyl ether 14028.66
    tert-amyl alcohol 9002.35
    acetylacetone 5980.07
    n-hexadecane 1863.09
    acetophenone 2290.68
    methyl propionate 4270.08
    isopentyl acetate 22306.23
    trichloroethylene 8511.52
    n-nonanol 3469.15
    cyclohexanol 7643.33
    benzyl alcohol 1450.52
    2-ethylhexanol 14443.3
    isooctanol 4071.3
    dipropyl ether 40293.41
    1,2-dichlorobenzene 3178.29
    ethyl lactate 1045.39
    propylene carbonate 3143.29
    n-methylformamide 775.32
    2-pentanol 7073.46
    n-pentane 11256.57
    1-propoxy-2-propanol 11503.43
    1-methoxy-2-propyl acetate 10235.4
    2-(2-methoxypropoxy) propanol 2696.07
    mesitylene 3314.47
    ε-caprolactone 8810.42
    p-cymene 4606.31
    epichlorohydrin 8139.89
    1,1,1-trichloroethane 10768.46
    2-aminoethanol 336.72
    morpholine-4-carbaldehyde 3607.35
    sulfolane 4506.26
    2,2,4-trimethylpentane 3813.37
    2-methyltetrahydrofuran 23192.21
    n-hexyl acetate 8435.9
    isooctane 3928.27
    2-(2-butoxyethoxy)ethanol 4471.31
    sec-butyl acetate 7542.26
    tert-butyl acetate 12533.28
    decalin 5511.95
    glycerin 232.2
    diglyme 9275.52
    acrylic acid 554.49
    isopropyl myristate 3897.3
    n-butyric acid 5003.37
    acetyl acetate 3471.35
    di(2-ethylhexyl) phthalate 1238.36
    ethyl propionate 6951.54
    nitromethane 1584.88
    1,2-diethoxyethane 21555.06
    benzonitrile 2529.88
    trioctyl phosphate 1456.72
    1-bromopropane 15369.95
    gamma-valerolactone 7608.96
    n-decanol 2598.64
    triethyl phosphate 3142.08
    4-methyl-2-pentanol 5225.66
    propionitrile 4378.51
    vinylene carbonate 1857.77
    1,1,2-trichlorotrifluoroethane 2375.63
    DMS 2236.23
    cumene 2475.31
    2-octanol 3261.5
    2-hexanone 10824.85
    octyl acetate 3610.59
    limonene 11746.69
    1,2-dimethoxyethane 11154.15
    ethyl orthosilicate 4261.3
    tributyl phosphate 2065.38
    diacetone alcohol 5668.82
    N,N-dimethylaniline 2654.02
    acrylonitrile 2369.6
    aniline 3245.6
    1,3-propanediol 1129.06
    bromobenzene 5331.7
    dibromomethane 8909.5
    1,1,2,2-tetrachloroethane 8292.33
    2-methyl-cyclohexyl acetate 7120.12
    tetrabutyl urea 2516.32
    diisobutyl methanol 8313.9
    2-phenylethanol 3324.84
    styrene 4052.04
    dioctyl adipate 3070.52
    dimethyl sulfate 763.96
    ethyl butyrate 17904.7
    methyl lactate 676.56
    butyl lactate 2710.56
    diethyl carbonate 6162.86
    propanediol butyl ether 1632.24
    triethyl orthoformate 10985.84
    p-tert-butyltoluene 4824.89
    methyl 4-tert-butylbenzoate 2256.43
    morpholine 13601.8
    tert-butylamine 11526.21
    n-dodecanol 2173.76
    dimethoxymethane 4376.22
    ethylene carbonate 2517.34
    cyrene 1099.96
    2-ethoxyethyl acetate 5939.63
    2-ethylhexyl acetate 20326.28
    1,2,4-trichlorobenzene 3057.43
    4-methylpyridine 8333.02
    dibutyl ether 22251.69
    2,6-dimethyl-4-heptanol 8313.9
    DEF 7886.16
    dimethyl isosorbide 4470.62
    tetrachloroethylene 4897.25
    eugenol 1507.26
    triacetin 2863.85
    span 80 2792.63
    1,4-butanediol 358.55
    1,1-dichloroethane 9714.44
    2-methyl-1-pentanol 5565.19
    methyl formate 524.13
    2-methyl-1-butanol 6411.93
    n-decane 3527.19
    butyronitrile 8076.43
    3,7-dimethyl-1-octanol 5957.96
    1-chlorooctane 6684.98
    1-chlorotetradecane 2216.27
    n-nonane 4369.34
    undecane 2177.3
    tert-butylcyclohexane 5061.64
    cyclooctane 8057.13
    cyclopentanol 4644.89
    tetrahydropyran 30885.95
    tert-amyl methyl ether 15392.7
    2,5,8-trioxanonane 4166.91
    1-hexene 25141.63
    2-isopropoxyethanol 3096.82
    2,2,2-trifluoroethanol 154.79
    methyl butyrate 8729.46

    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