Heptane, 1-ethoxy-

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  • Identifiers

    CAS number
    1969-43-3

    Molecular formula
    C9H20O

    SMILES
    CCCCCCCOCC

  • Odor profile

    Fragrance
    Green 84.03%
    Floral 71.77%
    Fruity 67.2%
    Sweet 64.45%
    Herbal 62.2%
    Fresh 61.3%
    Fatty 57.16%
    Citrus 55.34%
    Waxy 52.32%
    Rose 48.96%

     

    Flavor
    Fruity 65.66%
    Sweet 64.94%
    Green 61.42%
    Herbal 55.78%
    Floral 46.66%
    Rose 44.48%
    Waxy 40.76%
    Orange 38.93%
    Earthy 38.15%
    Mushroom 36.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.95 (neutral)

    Molecular weight
    144.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 45.03 ˚C est.

  • Synonyms

    • Heptane, 1-ethoxy-
    • 1-Ethoxyheptane
    • 1969-43-3
    • Ether, ethyl heptyl
    • 1-ethoxy-heptane
    • Ethyl heptyl ether
    • 1-Ethoxyheptane #
    • SCHEMBL198403
    • DTXSID80334113
    • UTBWZYCUAYXAKT-UHFFFAOYSA-N

  • Applications

    Chemical name: Heptane, 1-ethoxy-; CAS number: 1969-43-3. For Heptane, 1-ethoxy- (CAS 1969-43-3), this ether with two nonpolar groups is primarily used as an organic solvent in industrial applications, with real-world uses including solvents for coatings and inks, solvents for adhesives, cleaning and degreasing formulations in manufacturing, processing solvents for polymers and plastics, and as an intermediate in chemical synthesis; it may also serve as a solvent carrier in fragrance formulations or cosmetic formulations depending on regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19091.14
    methanol 13592.12
    isopropanol 17943.13
    water 0.31
    ethyl acetate 15980.44
    n-propanol 17852.25
    acetone 18265.1
    n-butanol 19764.7
    acetonitrile 11468.44
    DMF 6240.37
    toluene 5759.46
    isobutanol 12567.13
    1,4-dioxane 18356.93
    methyl acetate 9446.6
    THF 24882.08
    2-butanone 14347.17
    n-pentanol 11686.73
    sec-butanol 16585.24
    n-hexane 16720.81
    ethylene glycol 1291.47
    NMP 4890.39
    cyclohexane 18333.2
    DMSO 11773.94
    n-butyl acetate 18661.45
    n-octanol 4453.55
    chloroform 25606.82
    n-propyl acetate 10404.41
    acetic acid 7402.36
    dichloromethane 23434.01
    cyclohexanone 17880.38
    propylene glycol 2610.97
    isopropyl acetate 8907.74
    DMAc 3945.74
    2-ethoxyethanol 8341.8
    isopentanol 15030.25
    n-heptane 10831.76
    ethyl formate 6275.4
    1,2-dichloroethane 16372.14
    n-hexanol 16007.09
    2-methoxyethanol 11763.73
    isobutyl acetate 5153.45
    tetrachloromethane 7721.09
    n-pentyl acetate 7070.34
    transcutol 19973.19
    n-heptanol 4413.03
    ethylbenzene 3121.82
    MIBK 6211.26
    2-propoxyethanol 12921.11
    tert-butanol 20444.36
    MTBE 20043.81
    2-butoxyethanol 5323.87
    propionic acid 7512.66
    o-xylene 2812.46
    formic acid 975.08
    diethyl ether 29417.61
    m-xylene 3072.59
    p-xylene 3792.71
    chlorobenzene 6285.68
    dimethyl carbonate 1129.25
    n-octane 2264.5
    formamide 1467.42
    cyclopentanone 12204.43
    2-pentanone 13982.99
    anisole 4111.26
    cyclopentyl methyl ether 15917.1
    gamma-butyrolactone 9664.18
    1-methoxy-2-propanol 9246.49
    pyridine 13849.69
    3-pentanone 8510.27
    furfural 6118.67
    n-dodecane 811.24
    diethylene glycol 4670.28
    diisopropyl ether 7400.68
    tert-amyl alcohol 14979.46
    acetylacetone 7231.31
    n-hexadecane 944.62
    acetophenone 2854.92
    methyl propionate 7153.82
    isopentyl acetate 11276.89
    trichloroethylene 19534.15
    n-nonanol 3597.48
    cyclohexanol 16651.61
    benzyl alcohol 3270.33
    2-ethylhexanol 10875.22
    isooctanol 3617.26
    dipropyl ether 21466.04
    1,2-dichlorobenzene 4532.24
    ethyl lactate 2023.96
    propylene carbonate 5339.82
    n-methylformamide 3969.65
    2-pentanol 14529.55
    n-pentane 11287.15
    1-propoxy-2-propanol 12473.49
    1-methoxy-2-propyl acetate 6770.99
    2-(2-methoxypropoxy) propanol 2583.8
    mesitylene 1924.25
    ε-caprolactone 12932.83
    p-cymene 2571.61
    epichlorohydrin 12734.98
    1,1,1-trichloroethane 17505.43
    2-aminoethanol 3985.78
    morpholine-4-carbaldehyde 6250.94
    sulfolane 8287.71
    2,2,4-trimethylpentane 2241.2
    2-methyltetrahydrofuran 26935.42
    n-hexyl acetate 7735.39
    isooctane 1786.38
    2-(2-butoxyethoxy)ethanol 4648.45
    sec-butyl acetate 6243.08
    tert-butyl acetate 7691.64
    decalin 3110.31
    glycerin 2148.28
    diglyme 9744.32
    acrylic acid 3975.26
    isopropyl myristate 2183.68
    n-butyric acid 15925.87
    acetyl acetate 5168.85
    di(2-ethylhexyl) phthalate 1158.62
    ethyl propionate 7280.85
    nitromethane 8406.12
    1,2-diethoxyethane 15952.28
    benzonitrile 5329.42
    trioctyl phosphate 1090.64
    1-bromopropane 22239.03
    gamma-valerolactone 11596.28
    n-decanol 2378.36
    triethyl phosphate 2152.23
    4-methyl-2-pentanol 5672.5
    propionitrile 12290.43
    vinylene carbonate 4111.45
    1,1,2-trichlorotrifluoroethane 7438.31
    DMS 2546.43
    cumene 1760.84
    2-octanol 3410.86
    2-hexanone 10512.77
    octyl acetate 2563.47
    limonene 6039.69
    1,2-dimethoxyethane 15356.51
    ethyl orthosilicate 2712.16
    tributyl phosphate 1644.46
    diacetone alcohol 5439.29
    N,N-dimethylaniline 2261.59
    acrylonitrile 8443.1
    aniline 6239.88
    1,3-propanediol 6597.08
    bromobenzene 7176.26
    dibromomethane 22360.51
    1,1,2,2-tetrachloroethane 17112.65
    2-methyl-cyclohexyl acetate 4334.05
    tetrabutyl urea 1917.06
    diisobutyl methanol 5059.09
    2-phenylethanol 3930.23
    styrene 4414.97
    dioctyl adipate 2378.63
    dimethyl sulfate 1336.25
    ethyl butyrate 11164.16
    methyl lactate 1806.52
    butyl lactate 3326.98
    diethyl carbonate 4492.21
    propanediol butyl ether 3438.2
    triethyl orthoformate 6371.3
    p-tert-butyltoluene 2438.7
    methyl 4-tert-butylbenzoate 1838.12
    morpholine 24132.85
    tert-butylamine 17894.47
    n-dodecanol 1728.73
    dimethoxymethane 6026.36
    ethylene carbonate 4843.22
    cyrene 1470.69
    2-ethoxyethyl acetate 5690.38
    2-ethylhexyl acetate 9256.45
    1,2,4-trichlorobenzene 4438.01
    4-methylpyridine 12008.82
    dibutyl ether 14261.73
    2,6-dimethyl-4-heptanol 5059.09
    DEF 10370.76
    dimethyl isosorbide 3581.02
    tetrachloroethylene 12704.53
    eugenol 1661.94
    triacetin 3230.87
    span 80 3326.18
    1,4-butanediol 2467.9
    1,1-dichloroethane 20857.34
    2-methyl-1-pentanol 8658.52
    methyl formate 2461.26
    2-methyl-1-butanol 12875.59
    n-decane 1910.25
    butyronitrile 17104.58
    3,7-dimethyl-1-octanol 5184.05
    1-chlorooctane 4502.65
    1-chlorotetradecane 1269.86
    n-nonane 2501.56
    undecane 1146.2
    tert-butylcyclohexane 2792.88
    cyclooctane 4274.71
    cyclopentanol 13086.33
    tetrahydropyran 37438.23
    tert-amyl methyl ether 11585.23
    2,5,8-trioxanonane 4223.74
    1-hexene 26166.0
    2-isopropoxyethanol 6215.27
    2,2,2-trifluoroethanol 1281.74
    methyl butyrate 10210.93

    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