2,6-Dimethyloctane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2051-30-1

    Molecular formula
    C10H22

    SMILES
    CCC(C)CCCC(C)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 921.0

  • Odor profile

    Fresh 39.69%
    Sweet 39.4%
    Herbal 39.35%
    Citrus 35.46%
    Gassy 34.04%
    Waxy 31.74%
    Oily 28.5%
    Woody 26.85%
    Pine 25.22%
    Spicy 25.13%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    142.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    159°C

    Flash point est.
    45.91 ˚C

  • Synonyms

    • 2,6-DIMETHYLOCTANE
    • 2051-30-1
    • Octane, 2,6-dimethyl-
    • Myrcane
    • DTXSID7058628
    • NSC91459
    • MFCD00042892
    • NSC 91459
    • Octane,6-dimethyl-
    • Octane, 2,6dimethyl
    • DTXCID5032315
    • NSC-91459
    • R-(-)-2,6-DIMETHYLOCTANE
    • AKOS015841663
    • D1212
    • NS00096233
    • T70540
    • Q2876225
    • 623-659-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1678.13
    methanol 657.88
    isopropanol 1903.85
    water 0.03
    ethyl acetate 3112.59
    n-propanol 1877.14
    acetone 1988.36
    n-butanol 2830.15
    acetonitrile 1038.34
    DMF 721.72
    toluene 2193.64
    isobutanol 1613.27
    1,4-dioxane 4791.61
    methyl acetate 1513.13
    THF 8577.21
    2-butanone 2489.98
    n-pentanol 1995.79
    sec-butanol 2417.46
    n-hexane 7420.53
    ethylene glycol 58.75
    NMP 921.6
    cyclohexane 7298.02
    DMSO 962.58
    n-butyl acetate 9282.42
    n-octanol 1800.49
    chloroform 4292.52
    n-propyl acetate 2354.75
    acetic acid 531.42
    dichloromethane 3152.57
    cyclohexanone 3977.01
    propylene glycol 195.93
    isopropyl acetate 2592.92
    DMAc 735.74
    2-ethoxyethanol 1146.63
    isopentanol 2923.05
    n-heptane 11261.05
    ethyl formate 952.1
    1,2-dichloroethane 2623.32
    n-hexanol 6495.1
    2-methoxyethanol 1298.49
    isobutyl acetate 1780.86
    tetrachloromethane 1358.94
    n-pentyl acetate 2417.49
    transcutol 4749.72
    n-heptanol 2035.29
    ethylbenzene 1329.78
    MIBK 2318.58
    2-propoxyethanol 3700.9
    tert-butanol 3537.25
    MTBE 7009.59
    2-butoxyethanol 1800.22
    propionic acid 676.88
    o-xylene 1137.28
    formic acid 43.95
    diethyl ether 7326.4
    m-xylene 1397.58
    p-xylene 1519.88
    chlorobenzene 1577.26
    dimethyl carbonate 217.24
    n-octane 2023.66
    formamide 71.67
    cyclopentanone 2755.43
    2-pentanone 3082.81
    anisole 1435.52
    cyclopentyl methyl ether 4972.69
    gamma-butyrolactone 1889.4
    1-methoxy-2-propanol 1447.57
    pyridine 2850.72
    3-pentanone 1936.26
    furfural 1201.89
    n-dodecane 800.68
    diethylene glycol 749.06
    diisopropyl ether 3501.67
    tert-amyl alcohol 3279.5
    acetylacetone 1707.77
    n-hexadecane 931.03
    acetophenone 853.04
    methyl propionate 1213.72
    isopentyl acetate 6700.38
    trichloroethylene 2780.45
    n-nonanol 1737.37
    cyclohexanol 2991.11
    benzyl alcohol 635.12
    2-ethylhexanol 6680.06
    isooctanol 1807.96
    dipropyl ether 14129.66
    1,2-dichlorobenzene 1187.88
    ethyl lactate 423.61
    propylene carbonate 1305.96
    n-methylformamide 301.14
    2-pentanol 2715.09
    n-pentane 4315.86
    1-propoxy-2-propanol 4813.78
    1-methoxy-2-propyl acetate 3214.79
    2-(2-methoxypropoxy) propanol 1202.15
    mesitylene 1085.75
    ε-caprolactone 2900.81
    p-cymene 1923.84
    epichlorohydrin 2821.39
    1,1,1-trichloroethane 3345.77
    2-aminoethanol 244.72
    morpholine-4-carbaldehyde 1316.92
    sulfolane 1524.27
    2,2,4-trimethylpentane 1447.28
    2-methyltetrahydrofuran 8094.21
    n-hexyl acetate 2939.08
    isooctane 1385.1
    2-(2-butoxyethoxy)ethanol 1930.36
    sec-butyl acetate 2015.65
    tert-butyl acetate 3039.41
    decalin 2081.44
    glycerin 176.57
    diglyme 3617.37
    acrylic acid 305.43
    isopropyl myristate 1469.82
    n-butyric acid 2176.2
    acetyl acetate 1173.87
    di(2-ethylhexyl) phthalate 592.9
    ethyl propionate 1856.18
    nitromethane 618.61
    1,2-diethoxyethane 5915.53
    benzonitrile 1171.24
    trioctyl phosphate 670.27
    1-bromopropane 4995.96
    gamma-valerolactone 2547.18
    n-decanol 1323.76
    triethyl phosphate 1218.05
    4-methyl-2-pentanol 1816.38
    propionitrile 1634.91
    vinylene carbonate 794.9
    1,1,2-trichlorotrifluoroethane 977.63
    DMS 693.8
    cumene 926.76
    2-octanol 1504.31
    2-hexanone 3119.21
    octyl acetate 1515.69
    limonene 4443.03
    1,2-dimethoxyethane 3934.14
    ethyl orthosilicate 1619.51
    tributyl phosphate 887.63
    diacetone alcohol 1668.72
    N,N-dimethylaniline 917.85
    acrylonitrile 939.21
    aniline 1337.72
    1,3-propanediol 638.23
    bromobenzene 1935.44
    dibromomethane 3439.79
    1,1,2,2-tetrachloroethane 2936.9
    2-methyl-cyclohexyl acetate 2694.57
    tetrabutyl urea 1003.35
    diisobutyl methanol 3516.18
    2-phenylethanol 1578.27
    styrene 1480.69
    dioctyl adipate 1254.98
    dimethyl sulfate 231.83
    ethyl butyrate 5559.17
    methyl lactate 272.78
    butyl lactate 1006.9
    diethyl carbonate 2243.33
    propanediol butyl ether 812.4
    triethyl orthoformate 3930.77
    p-tert-butyltoluene 2043.7
    methyl 4-tert-butylbenzoate 896.16
    morpholine 5355.48
    tert-butylamine 4238.67
    n-dodecanol 1068.15
    dimethoxymethane 1201.75
    ethylene carbonate 1009.41
    cyrene 510.19
    2-ethoxyethyl acetate 1820.03
    2-ethylhexyl acetate 6119.71
    1,2,4-trichlorobenzene 1191.47
    4-methylpyridine 2905.1
    dibutyl ether 6797.91
    2,6-dimethyl-4-heptanol 3516.18
    DEF 2129.42
    dimethyl isosorbide 1854.38
    tetrachloroethylene 1796.56
    eugenol 637.31
    triacetin 1051.58
    span 80 1464.38
    1,4-butanediol 210.85
    1,1-dichloroethane 3230.45
    2-methyl-1-pentanol 2136.27
    methyl formate 202.95
    2-methyl-1-butanol 2376.32
    n-decane 1693.7
    butyronitrile 3038.31
    3,7-dimethyl-1-octanol 2499.13
    1-chlorooctane 2631.15
    1-chlorotetradecane 985.23
    n-nonane 1989.7
    undecane 1101.5
    tert-butylcyclohexane 1859.43
    cyclooctane 2886.77
    cyclopentanol 2068.09
    tetrahydropyran 10321.74
    tert-amyl methyl ether 4443.58
    2,5,8-trioxanonane 1782.43
    1-hexene 8722.34
    2-isopropoxyethanol 1185.09
    2,2,2-trifluoroethanol 85.73
    methyl butyrate 2457.85

    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
Violet odorata leaf 1 8024-08-6 Viola odorata L., fam. Violaceae 1.0%
Lemongrass (Lagos) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.1%