2,7-Dimethyloctane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1072-16-8

    Molecular formula
    C10H22

    SMILES
    CC(C)CCCCC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sweet 40.96%
    Herbal 40.39%
    Fresh 39.29%
    Gassy 31.87%
    Citrus 31.54%
    Woody 31.34%
    Oily 30.99%
    Waxy 30.62%
    Pine 26.7%
    Spicy 25.53%

    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.
    158°C

    Flash point est.
    43.94 ˚C

  • Synonyms

    • 2,7-DIMETHYLOCTANE
    • 1072-16-8
    • Diisoamyl
    • Octane, 2,7-dimethyl-
    • Diisopentyl
    • 2,7-dimethyl-octane
    • DTXSID90147933
    • NSC 6232
    • NSC-6232
    • NSC6232
    • MFCD00049100
    • Octane,7-dimethyl-
    • Octane,2,7-dimethyl-
    • SM9CF6UP25
    • DTXCID7070424
    • AKOS015841665
    • FD29139
    • DB-040742
    • Q5651223
    • 680-703-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 532.3
    methanol 286.41
    isopropanol 702.4
    water 0.05
    ethyl acetate 1409.23
    n-propanol 766.82
    acetone 1182.36
    n-butanol 1165.34
    acetonitrile 439.82
    DMF 686.72
    toluene 1520.95
    isobutanol 803.59
    1,4-dioxane 2234.43
    methyl acetate 935.21
    THF 4535.43
    2-butanone 1496.42
    n-pentanol 805.23
    sec-butanol 1044.09
    n-hexane 4686.95
    ethylene glycol 47.11
    NMP 1246.05
    cyclohexane 5032.8
    DMSO 682.15
    n-butyl acetate 3908.87
    n-octanol 1019.52
    chloroform 2801.52
    n-propyl acetate 1282.44
    acetic acid 347.89
    dichloromethane 1772.47
    cyclohexanone 2726.41
    propylene glycol 139.14
    isopropyl acetate 1471.58
    DMAc 885.16
    2-ethoxyethanol 556.62
    isopentanol 1404.47
    n-heptane 5286.79
    ethyl formate 472.33
    1,2-dichloroethane 1582.03
    n-hexanol 2449.88
    2-methoxyethanol 706.12
    isobutyl acetate 1190.34
    tetrachloromethane 1127.74
    n-pentyl acetate 1400.84
    transcutol 2546.38
    n-heptanol 1031.89
    ethylbenzene 968.95
    MIBK 1368.93
    2-propoxyethanol 1882.68
    tert-butanol 1572.26
    MTBE 3755.78
    2-butoxyethanol 1047.38
    propionic acid 483.21
    o-xylene 1011.9
    formic acid 36.76
    diethyl ether 2956.47
    m-xylene 1066.91
    p-xylene 1269.35
    chlorobenzene 1232.99
    dimethyl carbonate 246.34
    n-octane 1269.81
    formamide 52.02
    cyclopentanone 2252.38
    2-pentanone 1596.03
    anisole 974.89
    cyclopentyl methyl ether 3427.59
    gamma-butyrolactone 1618.44
    1-methoxy-2-propanol 820.26
    pyridine 1464.87
    3-pentanone 1485.48
    furfural 1024.5
    n-dodecane 554.35
    diethylene glycol 459.16
    diisopropyl ether 1988.02
    tert-amyl alcohol 1865.29
    acetylacetone 1118.46
    n-hexadecane 660.86
    acetophenone 717.44
    methyl propionate 842.71
    isopentyl acetate 3511.9
    trichloroethylene 2206.86
    n-nonanol 978.97
    cyclohexanol 1845.83
    benzyl alcohol 441.33
    2-ethylhexanol 2921.74
    isooctanol 996.46
    dipropyl ether 5991.13
    1,2-dichlorobenzene 1095.92
    ethyl lactate 361.24
    propylene carbonate 1091.09
    n-methylformamide 238.31
    2-pentanol 1234.39
    n-pentane 2422.23
    1-propoxy-2-propanol 2465.98
    1-methoxy-2-propyl acetate 1958.19
    2-(2-methoxypropoxy) propanol 900.06
    mesitylene 932.12
    ε-caprolactone 1994.24
    p-cymene 1261.0
    epichlorohydrin 1781.47
    1,1,1-trichloroethane 2615.03
    2-aminoethanol 154.86
    morpholine-4-carbaldehyde 1081.72
    sulfolane 1756.64
    2,2,4-trimethylpentane 1323.04
    2-methyltetrahydrofuran 4332.28
    n-hexyl acetate 1834.45
    isooctane 1031.57
    2-(2-butoxyethoxy)ethanol 1205.96
    sec-butyl acetate 1290.79
    tert-butyl acetate 2073.91
    decalin 1820.86
    glycerin 158.29
    diglyme 2134.3
    acrylic acid 296.6
    isopropyl myristate 1065.92
    n-butyric acid 1177.5
    acetyl acetate 808.91
    di(2-ethylhexyl) phthalate 508.91
    ethyl propionate 1202.95
    nitromethane 456.42
    1,2-diethoxyethane 2578.98
    benzonitrile 704.1
    trioctyl phosphate 530.35
    1-bromopropane 2609.03
    gamma-valerolactone 1844.75
    n-decanol 747.57
    triethyl phosphate 978.96
    4-methyl-2-pentanol 1028.69
    propionitrile 875.21
    vinylene carbonate 679.21
    1,1,2-trichlorotrifluoroethane 991.07
    DMS 698.08
    cumene 759.63
    2-octanol 812.65
    2-hexanone 1687.26
    octyl acetate 1026.9
    limonene 2837.84
    1,2-dimethoxyethane 1805.59
    ethyl orthosilicate 1236.63
    tributyl phosphate 708.55
    diacetone alcohol 1253.53
    N,N-dimethylaniline 765.62
    acrylonitrile 584.94
    aniline 876.89
    1,3-propanediol 339.08
    bromobenzene 1563.51
    dibromomethane 1926.88
    1,1,2,2-tetrachloroethane 2597.08
    2-methyl-cyclohexyl acetate 1962.07
    tetrabutyl urea 830.31
    diisobutyl methanol 1954.95
    2-phenylethanol 920.9
    styrene 1023.05
    dioctyl adipate 985.51
    dimethyl sulfate 331.88
    ethyl butyrate 2740.24
    methyl lactate 282.11
    butyl lactate 778.0
    diethyl carbonate 1377.22
    propanediol butyl ether 601.03
    triethyl orthoformate 2412.24
    p-tert-butyltoluene 1348.99
    methyl 4-tert-butylbenzoate 854.18
    morpholine 2430.28
    tert-butylamine 1901.22
    n-dodecanol 629.17
    dimethoxymethane 790.51
    ethylene carbonate 752.5
    cyrene 531.75
    2-ethoxyethyl acetate 1094.26
    2-ethylhexyl acetate 3361.53
    1,2,4-trichlorobenzene 1213.94
    4-methylpyridine 1601.4
    dibutyl ether 3680.11
    2,6-dimethyl-4-heptanol 1954.95
    DEF 1446.77
    dimethyl isosorbide 1543.36
    tetrachloroethylene 1678.69
    eugenol 596.49
    triacetin 966.52
    span 80 1013.65
    1,4-butanediol 128.7
    1,1-dichloroethane 1789.01
    2-methyl-1-pentanol 1111.93
    methyl formate 177.7
    2-methyl-1-butanol 1271.02
    n-decane 1082.48
    butyronitrile 1245.55
    3,7-dimethyl-1-octanol 1591.8
    1-chlorooctane 1728.33
    1-chlorotetradecane 742.06
    n-nonane 1273.66
    undecane 732.14
    tert-butylcyclohexane 1724.14
    cyclooctane 2260.23
    cyclopentanol 1317.38
    tetrahydropyran 4569.36
    tert-amyl methyl ether 3148.02
    2,5,8-trioxanonane 1222.31
    1-hexene 4364.64
    2-isopropoxyethanol 666.8
    2,2,2-trifluoroethanol 102.29
    methyl butyrate 1450.92

    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
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.01%