3,4-Dimethylheptane

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  • Identifiers

    CAS number
    922-28-1

    Molecular formula
    C9H20

    SMILES
    CCCC(C)C(C)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Herbal 39.57%
    Fresh 38.65%
    Citrus 33.78%
    Woody 32.09%
    Gassy 31.77%
    Sweet 30.28%
    Waxy 28.82%
    Oily 26.3%
    Spicy 26.22%
    Pine 25.99%

    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

    • 140.60 °C. @ 760.00 mm Hg

    Flash point est.
    28.99 ˚C

  • Synonyms

    • 3,4-DIMETHYLHEPTANE
    • 922-28-1
    • Heptane, 3,4-dimethyl-
    • 3,4-dimethyl-heptane
    • NSC 158678
    • 3,4-Dimethylheptane, (D)
    • 3,4-Dimethylheptane, (L)
    • DTXSID10870796
    • MFCD00048736
    • NSC158678
    • Heptane,4-dimethyl-
    • Heptane, 3,4-dimethyl- (8CI)(9CI)
    • Heptane, 3,4dimethyl (8CI)
    • DTXCID80818488
    • Heptane, 3,4-dimethyl-(8CI)
    • Heptane, 3,4dimethyl (8CI)(9CI)
    • NSC-158678
    • Heptane, 3,4-dimethyl-(8CI)(9CI)
    • D1207
    • T71461
    • Q2815979
    • 622-297-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1079.81
    methanol 394.0
    isopropanol 1387.98
    water 0.03
    ethyl acetate 1716.63
    n-propanol 1313.15
    acetone 1316.28
    n-butanol 1849.38
    acetonitrile 980.31
    DMF 572.07
    toluene 1453.27
    isobutanol 1196.15
    1,4-dioxane 3007.75
    methyl acetate 1074.95
    THF 5644.52
    2-butanone 1716.43
    n-pentanol 1237.67
    sec-butanol 1709.51
    n-hexane 3209.21
    ethylene glycol 36.81
    NMP 817.95
    cyclohexane 3610.32
    DMSO 670.7
    n-butyl acetate 6002.47
    n-octanol 1325.71
    chloroform 3070.94
    n-propyl acetate 1537.76
    acetic acid 359.19
    dichloromethane 2624.58
    cyclohexanone 2942.37
    propylene glycol 114.87
    isopropyl acetate 1262.09
    DMAc 555.59
    2-ethoxyethanol 634.42
    isopentanol 1728.35
    n-heptane 6182.7
    ethyl formate 748.47
    1,2-dichloroethane 1885.02
    n-hexanol 4103.12
    2-methoxyethanol 777.62
    isobutyl acetate 1049.33
    tetrachloromethane 1091.34
    n-pentyl acetate 1723.4
    transcutol 2367.73
    n-heptanol 1558.72
    ethylbenzene 852.04
    MIBK 1178.59
    2-propoxyethanol 2170.98
    tert-butanol 2255.83
    MTBE 3530.6
    2-butoxyethanol 1189.72
    propionic acid 482.34
    o-xylene 784.08
    formic acid 27.61
    diethyl ether 3864.96
    m-xylene 887.38
    p-xylene 981.14
    chlorobenzene 1228.86
    dimethyl carbonate 143.8
    n-octane 1307.3
    formamide 49.54
    cyclopentanone 2247.65
    2-pentanone 1773.84
    anisole 869.04
    cyclopentyl methyl ether 2967.54
    gamma-butyrolactone 1544.3
    1-methoxy-2-propanol 831.45
    pyridine 2116.58
    3-pentanone 1219.69
    furfural 923.24
    n-dodecane 537.81
    diethylene glycol 447.86
    diisopropyl ether 1555.75
    tert-amyl alcohol 2171.96
    acetylacetone 946.3
    n-hexadecane 623.99
    acetophenone 563.78
    methyl propionate 769.48
    isopentyl acetate 4492.12
    trichloroethylene 2064.17
    n-nonanol 1162.91
    cyclohexanol 2131.86
    benzyl alcohol 432.67
    2-ethylhexanol 4221.83
    isooctanol 1330.75
    dipropyl ether 6966.92
    1,2-dichlorobenzene 961.7
    ethyl lactate 261.01
    propylene carbonate 1063.18
    n-methylformamide 248.72
    2-pentanol 1676.43
    n-pentane 2268.71
    1-propoxy-2-propanol 2816.27
    1-methoxy-2-propyl acetate 1750.69
    2-(2-methoxypropoxy) propanol 694.93
    mesitylene 663.91
    ε-caprolactone 2214.98
    p-cymene 1434.2
    epichlorohydrin 2152.31
    1,1,1-trichloroethane 2634.98
    2-aminoethanol 155.22
    morpholine-4-carbaldehyde 907.45
    sulfolane 1331.65
    2,2,4-trimethylpentane 780.15
    2-methyltetrahydrofuran 5344.04
    n-hexyl acetate 1978.05
    isooctane 742.88
    2-(2-butoxyethoxy)ethanol 1079.63
    sec-butyl acetate 1021.37
    tert-butyl acetate 1438.32
    decalin 1095.55
    glycerin 104.4
    diglyme 2019.22
    acrylic acid 221.09
    isopropyl myristate 915.27
    n-butyric acid 1404.88
    acetyl acetate 629.63
    di(2-ethylhexyl) phthalate 423.91
    ethyl propionate 1052.5
    nitromethane 491.97
    1,2-diethoxyethane 3285.69
    benzonitrile 960.44
    trioctyl phosphate 462.27
    1-bromopropane 3660.53
    gamma-valerolactone 1903.57
    n-decanol 881.19
    triethyl phosphate 706.0
    4-methyl-2-pentanol 987.95
    propionitrile 1406.22
    vinylene carbonate 704.79
    1,1,2-trichlorotrifluoroethane 653.96
    DMS 480.86
    cumene 595.96
    2-octanol 1199.41
    2-hexanone 1917.84
    octyl acetate 955.18
    limonene 3018.01
    1,2-dimethoxyethane 2177.3
    ethyl orthosilicate 841.46
    tributyl phosphate 563.42
    diacetone alcohol 951.18
    N,N-dimethylaniline 562.94
    acrylonitrile 829.0
    aniline 850.4
    1,3-propanediol 392.08
    bromobenzene 1521.97
    dibromomethane 2850.88
    1,1,2,2-tetrachloroethane 1945.77
    2-methyl-cyclohexyl acetate 1541.36
    tetrabutyl urea 668.81
    diisobutyl methanol 2120.82
    2-phenylethanol 1059.18
    styrene 907.91
    dioctyl adipate 788.76
    dimethyl sulfate 167.64
    ethyl butyrate 3119.87
    methyl lactate 171.96
    butyl lactate 744.53
    diethyl carbonate 1302.54
    propanediol butyl ether 568.92
    triethyl orthoformate 2047.04
    p-tert-butyltoluene 1360.56
    methyl 4-tert-butylbenzoate 633.32
    morpholine 3244.7
    tert-butylamine 2425.79
    n-dodecanol 707.71
    dimethoxymethane 721.4
    ethylene carbonate 784.2
    cyrene 371.82
    2-ethoxyethyl acetate 1186.87
    2-ethylhexyl acetate 4037.66
    1,2,4-trichlorobenzene 924.92
    4-methylpyridine 2153.89
    dibutyl ether 3779.75
    2,6-dimethyl-4-heptanol 2120.82
    DEF 1354.23
    dimethyl isosorbide 1262.99
    tetrachloroethylene 1229.56
    eugenol 495.05
    triacetin 650.68
    span 80 894.51
    1,4-butanediol 147.11
    1,1-dichloroethane 2441.51
    2-methyl-1-pentanol 1225.34
    methyl formate 187.25
    2-methyl-1-butanol 1617.44
    n-decane 1083.3
    butyronitrile 2377.11
    3,7-dimethyl-1-octanol 1626.23
    1-chlorooctane 1847.13
    1-chlorotetradecane 655.11
    n-nonane 1340.75
    undecane 726.22
    tert-butylcyclohexane 1074.35
    cyclooctane 1523.67
    cyclopentanol 1613.93
    tetrahydropyran 6164.04
    tert-amyl methyl ether 2273.67
    2,5,8-trioxanonane 1064.79
    1-hexene 4432.89
    2-isopropoxyethanol 638.74
    2,2,2-trifluoroethanol 61.74
    methyl butyrate 1536.83

    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%