3-Methyldodecane

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  • Identifiers

    CAS number
    17312-57-1

    Molecular formula
    C13H28

    SMILES
    CCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 62.47%
    Sweet 35.01%
    Gassy 33.66%
    Oily 28.71%
    Fatty 23.03%
    Fishy 19.38%
    Fresh 19.37%
    Citrus 17.5%
    Meaty 17.01%
    Clean 16.47%

     

    Flavor
    Alkane 67.42%
    Waxy 40.11%
    Gasoline 24.15%
    Delicate 23.07%
    Slightly waxy 21.88%
    Incense 21.72%
    Citrus peel 21.68%
    Grapefruit peel 21.33%
    Coumarinic 21.09%
    Mild 20.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    8.93 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 89.51 ˚C est.

  • Synonyms

    • 3-METHYLDODECANE
    • 17312-57-1
    • Dodecane, 3-methyl-
    • F3L2C5FRG8
    • DTXSID00873317
    • RefChem:504207
    • DTXCID70820813
    • DODECANE,3-METHYL-
    • xi-3-Methyldodecane
    • UNII-F3L2C5FRG8
    • SCHEMBL102332
    • SCHEMBL102914
    • SCHEMBL672783
    • SCHEMBL3335779
    • SCHEMBL4806963
    • SCHEMBL5049765
    • SCHEMBL5683936
    • SCHEMBL5984502
    • SCHEMBL16178853
    • SCHEMBL28314155
    • LMFA11000393
    • AKOS006274958
    • 17312-57-1

  • Applications

    3-Methyldodecane (CAS 17312-57-1) is a branched C13 aliphatic hydrocarbon commonly used as a non-polar solvent and carrier in various formulations. In perfumery and cosmetics, it can serve as a solvent or carrier for fragrance ingredients, oils, and additives, helping with formulation stability and evaporation control. In household cleaning products and degreasers, it provides a hydrocarbon solvent option. In coatings and inks, it acts as a diluent or carrier for resins and pigments. In polymers and plastics processing, it may function as a solvent or processing aid for polymerization and formulation steps. In adhesives, it can be used as a solvent diluent or carrier component. For industrial manufacturing and electronics cleaning, it may be evaluated as a non-polar hydrocarbon solvent option, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1661.23
    methanol 464.44
    isopropanol 2574.76
    water 0.0
    ethyl acetate 7619.66
    n-propanol 2351.5
    acetone 4841.63
    n-butanol 3699.74
    acetonitrile 1539.34
    DMF 1697.6
    toluene 5380.74
    isobutanol 2486.31
    1,4-dioxane 8804.58
    methyl acetate 3187.62
    THF 17566.12
    2-butanone 6355.43
    n-pentanol 2652.67
    sec-butanol 3686.36
    n-hexane 13857.17
    ethylene glycol 32.61
    NMP 1978.46
    cyclohexane 18786.59
    DMSO 2263.79
    n-butyl acetate 21506.91
    n-octanol 2309.96
    chloroform 7984.78
    n-propyl acetate 6627.35
    acetic acid 524.89
    dichloromethane 8230.25
    cyclohexanone 10844.21
    propylene glycol 140.42
    isopropyl acetate 7004.38
    DMAc 1877.95
    2-ethoxyethanol 1680.49
    isopentanol 4672.24
    n-heptane 20617.59
    ethyl formate 1633.68
    1,2-dichloroethane 7759.73
    n-hexanol 7030.16
    2-methoxyethanol 1770.17
    isobutyl acetate 4963.49
    tetrachloromethane 2481.03
    n-pentyl acetate 6169.86
    transcutol 10298.05
    n-heptanol 2552.14
    ethylbenzene 3261.26
    MIBK 6296.15
    2-propoxyethanol 4814.08
    tert-butanol 5792.05
    MTBE 17442.56
    2-butoxyethanol 2620.81
    propionic acid 874.67
    o-xylene 2835.63
    formic acid 22.59
    diethyl ether 18185.8
    m-xylene 3240.61
    p-xylene 3659.32
    chlorobenzene 3426.02
    dimethyl carbonate 486.87
    n-octane 3929.97
    formamide 57.62
    cyclopentanone 7187.21
    2-pentanone 8199.95
    anisole 3499.72
    cyclopentyl methyl ether 12820.3
    gamma-butyrolactone 4050.11
    1-methoxy-2-propanol 2194.75
    pyridine 6438.23
    3-pentanone 5698.5
    furfural 2112.4
    n-dodecane 1234.03
    diethylene glycol 761.49
    diisopropyl ether 9500.58
    tert-amyl alcohol 5729.38
    acetylacetone 4567.67
    n-hexadecane 1515.37
    acetophenone 2108.23
    methyl propionate 3056.13
    isopentyl acetate 17782.49
    trichloroethylene 7549.05
    n-nonanol 2425.43
    cyclohexanol 5257.19
    benzyl alcohol 1117.35
    2-ethylhexanol 10219.59
    isooctanol 2863.86
    dipropyl ether 35251.31
    1,2-dichlorobenzene 2793.03
    ethyl lactate 813.4
    propylene carbonate 2548.76
    n-methylformamide 427.79
    2-pentanol 4461.81
    n-pentane 7507.61
    1-propoxy-2-propanol 7900.34
    1-methoxy-2-propyl acetate 7689.33
    2-(2-methoxypropoxy) propanol 1995.02
    mesitylene 2590.49
    ε-caprolactone 6987.36
    p-cymene 4208.13
    epichlorohydrin 6689.74
    1,1,1-trichloroethane 9395.13
    2-aminoethanol 174.72
    morpholine-4-carbaldehyde 2561.53
    sulfolane 3920.81
    2,2,4-trimethylpentane 2533.39
    2-methyltetrahydrofuran 17978.97
    n-hexyl acetate 6348.48
    isooctane 2554.94
    2-(2-butoxyethoxy)ethanol 3179.92
    sec-butyl acetate 6161.76
    tert-butyl acetate 9274.69
    decalin 4395.82
    glycerin 138.52
    diglyme 7136.18
    acrylic acid 335.99
    isopropyl myristate 3308.92
    n-butyric acid 3243.97
    acetyl acetate 2663.22
    di(2-ethylhexyl) phthalate 1012.22
    ethyl propionate 5666.24
    nitromethane 1001.39
    1,2-diethoxyethane 17776.67
    benzonitrile 2100.81
    trioctyl phosphate 1131.56
    1-bromopropane 13864.45
    gamma-valerolactone 5604.84
    n-decanol 1796.29
    triethyl phosphate 2838.84
    4-methyl-2-pentanol 3227.11
    propionitrile 2895.89
    vinylene carbonate 1451.62
    1,1,2-trichlorotrifluoroethane 1833.42
    DMS 1722.69
    cumene 2101.77
    2-octanol 2277.61
    2-hexanone 8389.95
    octyl acetate 2929.61
    limonene 10118.75
    1,2-dimethoxyethane 8266.9
    ethyl orthosilicate 3728.36
    tributyl phosphate 1670.38
    diacetone alcohol 4050.08
    N,N-dimethylaniline 2264.78
    acrylonitrile 1595.01
    aniline 2404.02
    1,3-propanediol 601.65
    bromobenzene 4787.69
    dibromomethane 8330.18
    1,1,2,2-tetrachloroethane 7608.04
    2-methyl-cyclohexyl acetate 6069.41
    tetrabutyl urea 2088.09
    diisobutyl methanol 6808.85
    2-phenylethanol 2367.65
    styrene 3633.57
    dioctyl adipate 2741.91
    dimethyl sulfate 591.26
    ethyl butyrate 16013.01
    methyl lactate 460.89
    butyl lactate 2008.18
    diethyl carbonate 5635.04
    propanediol butyl ether 1051.47
    triethyl orthoformate 9953.75
    p-tert-butyltoluene 4244.08
    methyl 4-tert-butylbenzoate 1918.05
    morpholine 9619.4
    tert-butylamine 6858.89
    n-dodecanol 1499.26
    dimethoxymethane 2772.75
    ethylene carbonate 1932.5
    cyrene 866.23
    2-ethoxyethyl acetate 4583.69
    2-ethylhexyl acetate 16168.98
    1,2,4-trichlorobenzene 2696.77
    4-methylpyridine 6708.87
    dibutyl ether 18353.35
    2,6-dimethyl-4-heptanol 6808.85
    DEF 5669.58
    dimethyl isosorbide 3696.43
    tetrachloroethylene 4191.77
    eugenol 1193.06
    triacetin 2381.05
    span 80 2116.27
    1,4-butanediol 197.48
    1,1-dichloroethane 8240.67
    2-methyl-1-pentanol 3461.23
    methyl formate 312.76
    2-methyl-1-butanol 3836.53
    n-decane 2899.9
    butyronitrile 5536.05
    3,7-dimethyl-1-octanol 4359.96
    1-chlorooctane 5579.09
    1-chlorotetradecane 1801.92
    n-nonane 3634.1
    undecane 1757.87
    tert-butylcyclohexane 3800.44
    cyclooctane 6401.18
    cyclopentanol 3341.44
    tetrahydropyran 23698.59
    tert-amyl methyl ether 10926.46
    2,5,8-trioxanonane 3357.87
    1-hexene 18381.09
    2-isopropoxyethanol 1999.53
    2,2,2-trifluoroethanol 90.92
    methyl butyrate 7074.79

    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