2,6-Dimethylheptane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1072-05-5

    Molecular formula
    C9H20

    SMILES
    CC(C)CCCC(C)C

  • Odor profile

    Herbal 44.47%
    Fresh 43.55%
    Sweet 40.56%
    Woody 34.03%
    Gassy 32.66%
    Citrus 30.75%
    Mint 29.69%
    Pine 28.9%
    Ethereal 28.77%
    Green 28.72%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    135°C

    Flash point est.
    25.08 ˚C

  • Synonyms

    • 2,6-DIMETHYLHEPTANE
    • 1072-05-5
    • Heptane, 2,6-dimethyl-
    • M57QXT22WE
    • DTXSID70147931
    • 2,6-dimethyl-heptane
    • Heptane, 2,6dimethyl
    • UNII-M57QXT22WE
    • DTXCID7070422
    • AKOS006275382
    • DB-040739
    • NS00122766
    • Q2813796

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 202.89
    methanol 84.6
    isopropanol 231.03
    water 0.02
    ethyl acetate 386.94
    n-propanol 240.13
    acetone 283.73
    n-butanol 366.25
    acetonitrile 128.71
    DMF 146.6
    toluene 408.84
    isobutanol 222.62
    1,4-dioxane 777.94
    methyl acetate 212.37
    THF 1766.72
    2-butanone 332.25
    n-pentanol 246.7
    sec-butanol 315.78
    n-hexane 1081.51
    ethylene glycol 12.82
    NMP 297.42
    cyclohexane 1352.88
    DMSO 176.71
    n-butyl acetate 1304.0
    n-octanol 391.41
    chloroform 823.39
    n-propyl acetate 335.35
    acetic acid 106.17
    dichloromethane 590.29
    cyclohexanone 771.9
    propylene glycol 44.16
    isopropyl acetate 353.33
    DMAc 168.94
    2-ethoxyethanol 152.22
    isopentanol 377.25
    n-heptane 2538.32
    ethyl formate 151.67
    1,2-dichloroethane 409.06
    n-hexanol 1005.7
    2-methoxyethanol 192.44
    isobutyl acetate 286.26
    tetrachloromethane 274.94
    n-pentyl acetate 437.64
    transcutol 715.8
    n-heptanol 414.55
    ethylbenzene 266.75
    MIBK 319.53
    2-propoxyethanol 592.44
    tert-butanol 426.7
    MTBE 706.3
    2-butoxyethanol 334.2
    propionic acid 122.82
    o-xylene 250.3
    formic acid 9.67
    diethyl ether 731.5
    m-xylene 295.32
    p-xylene 332.71
    chlorobenzene 341.27
    dimethyl carbonate 51.86
    n-octane 493.52
    formamide 14.7
    cyclopentanone 673.76
    2-pentanone 422.29
    anisole 263.14
    cyclopentyl methyl ether 955.54
    gamma-butyrolactone 481.12
    1-methoxy-2-propanol 227.24
    pyridine 513.61
    3-pentanone 306.39
    furfural 308.43
    n-dodecane 236.75
    diethylene glycol 148.74
    diisopropyl ether 412.17
    tert-amyl alcohol 427.92
    acetylacetone 290.48
    n-hexadecane 271.52
    acetophenone 199.42
    methyl propionate 196.65
    isopentyl acetate 1058.39
    trichloroethylene 523.62
    n-nonanol 393.1
    cyclohexanol 568.63
    benzyl alcohol 133.16
    2-ethylhexanol 1192.73
    isooctanol 366.45
    dipropyl ether 2092.35
    1,2-dichlorobenzene 278.7
    ethyl lactate 96.86
    propylene carbonate 353.92
    n-methylformamide 57.31
    2-pentanol 351.27
    n-pentane 652.22
    1-propoxy-2-propanol 860.32
    1-methoxy-2-propyl acetate 583.21
    2-(2-methoxypropoxy) propanol 312.07
    mesitylene 234.38
    ε-caprolactone 592.29
    p-cymene 489.86
    epichlorohydrin 530.63
    1,1,1-trichloroethane 601.32
    2-aminoethanol 45.75
    morpholine-4-carbaldehyde 292.06
    sulfolane 471.83
    2,2,4-trimethylpentane 271.52
    2-methyltetrahydrofuran 1461.73
    n-hexyl acetate 594.24
    isooctane 245.86
    2-(2-butoxyethoxy)ethanol 414.13
    sec-butyl acetate 306.36
    tert-butyl acetate 443.1
    decalin 446.85
    glycerin 43.4
    diglyme 687.62
    acrylic acid 69.63
    isopropyl myristate 374.75
    n-butyric acid 326.21
    acetyl acetate 209.32
    di(2-ethylhexyl) phthalate 188.0
    ethyl propionate 284.72
    nitromethane 116.92
    1,2-diethoxyethane 757.81
    benzonitrile 241.54
    trioctyl phosphate 203.54
    1-bromopropane 739.32
    gamma-valerolactone 548.61
    n-decanol 310.75
    triethyl phosphate 325.58
    4-methyl-2-pentanol 254.77
    propionitrile 217.03
    vinylene carbonate 207.02
    1,1,2-trichlorotrifluoroethane 230.46
    DMS 183.65
    cumene 209.16
    2-octanol 304.83
    2-hexanone 439.11
    octyl acetate 388.4
    limonene 1011.4
    1,2-dimethoxyethane 503.03
    ethyl orthosilicate 375.47
    tributyl phosphate 256.12
    diacetone alcohol 322.66
    N,N-dimethylaniline 202.35
    acrylonitrile 139.0
    aniline 243.26
    1,3-propanediol 101.78
    bromobenzene 436.75
    dibromomethane 623.49
    1,1,2,2-tetrachloroethane 579.7
    2-methyl-cyclohexyl acetate 638.47
    tetrabutyl urea 302.94
    diisobutyl methanol 749.23
    2-phenylethanol 324.0
    styrene 273.85
    dioctyl adipate 377.38
    dimethyl sulfate 62.41
    ethyl butyrate 880.41
    methyl lactate 68.57
    butyl lactate 245.37
    diethyl carbonate 416.67
    propanediol butyl ether 190.27
    triethyl orthoformate 729.04
    p-tert-butyltoluene 514.86
    methyl 4-tert-butylbenzoate 269.22
    morpholine 835.51
    tert-butylamine 517.72
    n-dodecanol 265.34
    dimethoxymethane 201.26
    ethylene carbonate 229.15
    cyrene 183.61
    2-ethoxyethyl acetate 326.26
    2-ethylhexyl acetate 994.25
    1,2,4-trichlorobenzene 308.31
    4-methylpyridine 485.79
    dibutyl ether 1163.62
    2,6-dimethyl-4-heptanol 749.23
    DEF 342.02
    dimethyl isosorbide 593.47
    tetrachloroethylene 357.96
    eugenol 201.11
    triacetin 285.52
    span 80 411.64
    1,4-butanediol 38.26
    1,1-dichloroethane 488.55
    2-methyl-1-pentanol 266.33
    methyl formate 43.87
    2-methyl-1-butanol 320.78
    n-decane 432.29
    butyronitrile 395.11
    3,7-dimethyl-1-octanol 495.96
    1-chlorooctane 618.66
    1-chlorotetradecane 267.02
    n-nonane 498.82
    undecane 307.33
    tert-butylcyclohexane 417.62
    cyclooctane 650.82
    cyclopentanol 455.27
    tetrahydropyran 1548.49
    tert-amyl methyl ether 586.63
    2,5,8-trioxanonane 465.8
    1-hexene 1083.54
    2-isopropoxyethanol 168.9
    2,2,2-trifluoroethanol 23.51
    methyl butyrate 373.31

    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
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 0.41%