Heptane, 1,1'-oxybis-

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  • Identifiers

    CAS number
    629-64-1

    Molecular formula
    C14H30O

    SMILES
    CCCCCCCOCCCCCCC

  • Odor profile

    Fragrance
    Green 80.12%
    Floral 60.07%
    Oily 58.16%
    Fruity 51.31%
    Fresh 51.25%
    Fatty 49.67%
    Herbal 49.55%
    Waxy 47.86%
    Citrus 47.61%
    Sweet 47.14%

     

    Flavor
    Floral 61.5%
    Waxy 57.52%
    Rose 51.18%
    Green 49.74%
    Fresh 45.49%
    Orange 44.37%
    Fatty 44.11%
    Fruity 43.0%
    Citrus 42.41%
    Herbal 42.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.01 (neutral)

    Molecular weight
    214.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 104.93 ˚C est.

  • Synonyms

    • HEPTYL ETHER
    • Diheptyl ether
    • 629-64-1
    • n-Heptyl Ether
    • Ether, diheptyl
    • Di-n-heptyl ether
    • Heptane, 1,1'-oxybis-
    • 1-heptoxyheptane
    • Ether, di-n-heptyl-
    • NSC 97274
    • EINECS 211-100-0
    • Ether, di-n-heptyl
    • BRN 1742678
    • 1-(Heptyloxy)heptane
    • N-HEPTYLETHER
    • GK56DJW45C
    • DTXSID8060878
    • 4-01-00-01733 (Beilstein Handbook Reference)
    • NSC-97274
    • 1,1'-Oxybisheptane
    • MFCD00015288
    • Heptane,1'-oxybis-
    • Bis(1-heptyl) ether
    • 1-(heptyloxy)-heptane
    • 1,1'-Oxybis[heptane]
    • UNII-GK56DJW45C
    • SCHEMBL93264
    • DTXCID7043580
    • NSC97274
    • AKOS024333999
    • DB-254907
    • H0364
    • NS00022584
    • D90847

  • Applications

    Heptane, 1,1'-oxybis- (CAS 629-64-1) is a nonpolar dialkyl ether primarily employed as a solvent in industrial manufacturing, especially for hydrocarbon resins and waxes. It is used as a processing solvent and extractant for oils and fats and can serve as a component or processing aid in coatings, inks and adhesive formulations. In polymer and plastics processing, it may act as a solvent or plasticizer in certain formulations. It is also used in cleaning and degreasing applications for machinery and components due to its solvating power. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3635.78
    methanol 2034.99
    isopropanol 5413.34
    water 0.04
    ethyl acetate 11789.89
    n-propanol 4926.79
    acetone 11241.59
    n-butanol 6451.54
    acetonitrile 4746.53
    DMF 4707.77
    toluene 5091.22
    isobutanol 4931.81
    1,4-dioxane 10370.96
    methyl acetate 6418.79
    THF 17206.64
    2-butanone 9677.4
    n-pentanol 4091.16
    sec-butanol 6252.99
    n-hexane 10563.82
    ethylene glycol 175.71
    NMP 5936.95
    cyclohexane 19901.81
    DMSO 7521.56
    n-butyl acetate 15257.59
    n-octanol 2947.43
    chloroform 20093.99
    n-propyl acetate 9975.87
    acetic acid 2592.18
    dichloromethane 19369.69
    cyclohexanone 18863.04
    propylene glycol 517.89
    isopropyl acetate 8789.43
    DMAc 4014.0
    2-ethoxyethanol 3487.48
    isopentanol 6988.64
    n-heptane 9885.93
    ethyl formate 4158.97
    1,2-dichloroethane 15026.34
    n-hexanol 6183.95
    2-methoxyethanol 4302.71
    isobutyl acetate 5841.53
    tetrachloromethane 6673.72
    n-pentyl acetate 8801.11
    transcutol 12296.5
    n-heptanol 2933.91
    ethylbenzene 3361.93
    MIBK 6866.77
    2-propoxyethanol 5371.78
    tert-butanol 8866.21
    MTBE 13233.63
    2-butoxyethanol 3856.76
    propionic acid 3241.38
    o-xylene 3308.29
    formic acid 224.42
    diethyl ether 16213.38
    m-xylene 3205.42
    p-xylene 4568.44
    chlorobenzene 6558.32
    dimethyl carbonate 1199.98
    n-octane 2537.74
    formamide 480.62
    cyclopentanone 13458.76
    2-pentanone 11819.38
    anisole 4032.18
    cyclopentyl methyl ether 13917.35
    gamma-butyrolactone 10449.08
    1-methoxy-2-propanol 4529.51
    pyridine 9614.68
    3-pentanone 8298.19
    furfural 6424.93
    n-dodecane 848.16
    diethylene glycol 1550.18
    diisopropyl ether 6831.78
    tert-amyl alcohol 7761.4
    acetylacetone 7542.74
    n-hexadecane 1029.42
    acetophenone 3711.73
    methyl propionate 5674.7
    isopentyl acetate 12139.79
    trichloroethylene 19516.42
    n-nonanol 2665.61
    cyclohexanol 10357.72
    benzyl alcohol 2300.3
    2-ethylhexanol 6925.86
    isooctanol 3024.5
    dipropyl ether 17439.89
    1,2-dichlorobenzene 6113.7
    ethyl lactate 1890.09
    propylene carbonate 6279.27
    n-methylformamide 2002.88
    2-pentanol 6875.42
    n-pentane 6887.02
    1-propoxy-2-propanol 7481.14
    1-methoxy-2-propyl acetate 6644.51
    2-(2-methoxypropoxy) propanol 2211.7
    mesitylene 2584.59
    ε-caprolactone 13092.03
    p-cymene 3304.26
    epichlorohydrin 12016.42
    1,1,1-trichloroethane 18067.43
    2-aminoethanol 720.35
    morpholine-4-carbaldehyde 5369.53
    sulfolane 10860.35
    2,2,4-trimethylpentane 2134.38
    2-methyltetrahydrofuran 18225.51
    n-hexyl acetate 8531.44
    isooctane 1782.47
    2-(2-butoxyethoxy)ethanol 3425.89
    sec-butyl acetate 7556.3
    tert-butyl acetate 9451.56
    decalin 3895.12
    glycerin 537.67
    diglyme 8612.81
    acrylic acid 1776.87
    isopropyl myristate 2974.12
    n-butyric acid 8665.96
    acetyl acetate 5279.24
    di(2-ethylhexyl) phthalate 1372.63
    ethyl propionate 8173.26
    nitromethane 5121.35
    1,2-diethoxyethane 12159.2
    benzonitrile 4464.51
    trioctyl phosphate 1391.69
    1-bromopropane 16554.46
    gamma-valerolactone 12109.55
    n-decanol 1796.5
    triethyl phosphate 3195.19
    4-methyl-2-pentanol 3786.99
    propionitrile 6141.57
    vinylene carbonate 4339.26
    1,1,2-trichlorotrifluoroethane 5922.74
    DMS 3063.35
    cumene 2302.8
    2-octanol 2835.96
    2-hexanone 9021.57
    octyl acetate 3068.82
    limonene 7071.59
    1,2-dimethoxyethane 9964.86
    ethyl orthosilicate 3782.27
    tributyl phosphate 2101.49
    diacetone alcohol 5467.74
    N,N-dimethylaniline 2740.11
    acrylonitrile 4591.64
    aniline 4238.47
    1,3-propanediol 1762.41
    bromobenzene 8210.0
    dibromomethane 17006.04
    1,1,2,2-tetrachloroethane 18215.92
    2-methyl-cyclohexyl acetate 5597.56
    tetrabutyl urea 2594.56
    diisobutyl methanol 4799.7
    2-phenylethanol 2697.34
    styrene 4254.61
    dioctyl adipate 3380.05
    dimethyl sulfate 1840.78
    ethyl butyrate 12294.22
    methyl lactate 1357.22
    butyl lactate 3861.3
    diethyl carbonate 5674.52
    propanediol butyl ether 2230.06
    triethyl orthoformate 8164.53
    p-tert-butyltoluene 3164.23
    methyl 4-tert-butylbenzoate 2874.4
    morpholine 12825.66
    tert-butylamine 8359.82
    n-dodecanol 1385.27
    dimethoxymethane 4438.34
    ethylene carbonate 5151.3
    cyrene 1573.01
    2-ethoxyethyl acetate 6103.09
    2-ethylhexyl acetate 10368.44
    1,2,4-trichlorobenzene 5872.3
    4-methylpyridine 9570.18
    dibutyl ether 13256.57
    2,6-dimethyl-4-heptanol 4799.7
    DEF 9560.95
    dimethyl isosorbide 4294.19
    tetrachloroethylene 12611.98
    eugenol 2040.67
    triacetin 4254.81
    span 80 2787.51
    1,4-butanediol 684.68
    1,1-dichloroethane 15903.34
    2-methyl-1-pentanol 4125.35
    methyl formate 1491.72
    2-methyl-1-butanol 6013.72
    n-decane 2042.03
    butyronitrile 8697.74
    3,7-dimethyl-1-octanol 3849.19
    1-chlorooctane 4887.54
    1-chlorotetradecane 1542.91
    n-nonane 2565.42
    undecane 1205.11
    tert-butylcyclohexane 3114.53
    cyclooctane 5240.48
    cyclopentanol 7419.98
    tetrahydropyran 24411.74
    tert-amyl methyl ether 8790.61
    2,5,8-trioxanonane 3905.44
    1-hexene 13714.88
    2-isopropoxyethanol 3239.45
    2,2,2-trifluoroethanol 763.65
    methyl butyrate 11406.32

    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