Methyl 2-octoxyacetate

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  • Identifiers

    CAS number
    70038-39-0

    Molecular formula
    C11H22O3

    SMILES
    CCCCCCCCOCC(=O)OC

  • Odor profile

    Fragrance
    Fruity 71.63%
    Sweet 66.19%
    Green 63.03%
    Waxy 53.9%
    Floral 52.57%
    Fatty 51.1%
    Oily 51.01%
    Fresh 49.64%
    Herbal 43.36%
    Citrus 37.46%

     

    Flavor
    Waxy 66.97%
    Fruity 65.4%
    Green 57.31%
    Sweet 51.39%
    Floral 47.53%
    Oily 45.22%
    Mushroom 41.74%
    Soapy 41.53%
    Clean 37.4%
    Fatty 36.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.92 (neutral)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 101.72 ˚C est.

  • Synonyms

    • 70038-39-0
    • methyl 2-octoxyacetate
    • NSC294115
    • DTXSID50315338
    • NSC-294115

  • Applications

    Methyl 2-octoxyacetate (CAS 70038-39-0) is commonly used as a solvent in industrial coatings, inks, and adhesives; it also serves as a reactive diluent or plasticizer in polymer formulations and UV-curable coatings; it acts as an intermediate in organic synthesis to access ester and ether-containing compounds; it may be used as a fragrance/cosmetic solvent or carrier in perfumery and personal care products; and it appears in cleaning formulations and industrial degreasers where moderate polarity and solvency are needed.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3746.96
    methanol 5136.84
    isopropanol 2651.2
    water 0.23
    ethyl acetate 3499.28
    n-propanol 2728.97
    acetone 4842.36
    n-butanol 2101.14
    acetonitrile 3065.12
    DMF 2585.95
    toluene 677.29
    isobutanol 1839.37
    1,4-dioxane 3281.45
    methyl acetate 2258.98
    THF 3830.46
    2-butanone 2853.74
    n-pentanol 1387.2
    sec-butanol 2129.02
    n-hexane 165.57
    ethylene glycol 363.43
    NMP 1770.02
    cyclohexane 561.75
    DMSO 5830.8
    n-butyl acetate 1676.88
    n-octanol 332.82
    chloroform 4835.22
    n-propyl acetate 1961.49
    acetic acid 2966.17
    dichloromethane 5343.0
    cyclohexanone 4248.04
    propylene glycol 682.94
    isopropyl acetate 1628.0
    DMAc 1491.27
    2-ethoxyethanol 2073.74
    isopentanol 1698.4
    n-heptane 86.09
    ethyl formate 1591.61
    1,2-dichloroethane 4186.5
    n-hexanol 963.04
    2-methoxyethanol 3637.62
    isobutyl acetate 839.47
    tetrachloromethane 713.44
    n-pentyl acetate 866.19
    transcutol 4693.57
    n-heptanol 331.55
    ethylbenzene 363.41
    MIBK 1154.08
    2-propoxyethanol 1455.94
    tert-butanol 3151.89
    MTBE 2083.79
    2-butoxyethanol 795.35
    propionic acid 1822.32
    o-xylene 439.2
    formic acid 696.82
    diethyl ether 2570.68
    m-xylene 453.4
    p-xylene 492.86
    chlorobenzene 1145.47
    dimethyl carbonate 358.29
    n-octane 35.14
    formamide 1258.32
    cyclopentanone 3370.56
    2-pentanone 2428.87
    anisole 720.74
    cyclopentyl methyl ether 2035.11
    gamma-butyrolactone 3404.23
    1-methoxy-2-propanol 2284.16
    pyridine 2783.19
    3-pentanone 1471.35
    furfural 2449.47
    n-dodecane 21.44
    diethylene glycol 1050.25
    diisopropyl ether 493.19
    tert-amyl alcohol 2205.66
    acetylacetone 2227.61
    n-hexadecane 26.12
    acetophenone 777.91
    methyl propionate 1654.74
    isopentyl acetate 1213.12
    trichloroethylene 6077.12
    n-nonanol 281.38
    cyclohexanol 2294.12
    benzyl alcohol 750.56
    2-ethylhexanol 577.87
    isooctanol 305.6
    dipropyl ether 786.15
    1,2-dichlorobenzene 1023.29
    ethyl lactate 516.72
    propylene carbonate 1538.75
    n-methylformamide 1822.29
    2-pentanol 1428.43
    n-pentane 153.04
    1-propoxy-2-propanol 1209.09
    1-methoxy-2-propyl acetate 1157.62
    2-(2-methoxypropoxy) propanol 627.86
    mesitylene 299.14
    ε-caprolactone 2963.4
    p-cymene 225.62
    epichlorohydrin 4181.3
    1,1,1-trichloroethane 3198.71
    2-aminoethanol 1069.59
    morpholine-4-carbaldehyde 1920.26
    sulfolane 3364.73
    2,2,4-trimethylpentane 78.29
    2-methyltetrahydrofuran 3356.33
    n-hexyl acetate 948.69
    isooctane 57.27
    2-(2-butoxyethoxy)ethanol 978.72
    sec-butyl acetate 1084.9
    tert-butyl acetate 1501.51
    decalin 142.36
    glycerin 724.08
    diglyme 2157.99
    acrylic acid 1212.87
    isopropyl myristate 268.84
    n-butyric acid 3117.81
    acetyl acetate 1522.11
    di(2-ethylhexyl) phthalate 246.17
    ethyl propionate 1428.23
    nitromethane 4717.81
    1,2-diethoxyethane 1567.56
    benzonitrile 1111.28
    trioctyl phosphate 179.09
    1-bromopropane 2122.02
    gamma-valerolactone 4062.95
    n-decanol 184.57
    triethyl phosphate 339.63
    4-methyl-2-pentanol 592.23
    propionitrile 1989.86
    vinylene carbonate 1339.47
    1,1,2-trichlorotrifluoroethane 2783.63
    DMS 627.42
    cumene 227.5
    2-octanol 252.54
    2-hexanone 1608.99
    octyl acetate 343.91
    limonene 431.21
    1,2-dimethoxyethane 2843.55
    ethyl orthosilicate 345.31
    tributyl phosphate 265.94
    diacetone alcohol 1477.86
    N,N-dimethylaniline 412.66
    acrylonitrile 2166.68
    aniline 1081.48
    1,3-propanediol 1745.14
    bromobenzene 1245.36
    dibromomethane 3623.35
    1,1,2,2-tetrachloroethane 5013.26
    2-methyl-cyclohexyl acetate 624.95
    tetrabutyl urea 331.17
    diisobutyl methanol 322.21
    2-phenylethanol 600.47
    styrene 516.61
    dioctyl adipate 447.9
    dimethyl sulfate 642.32
    ethyl butyrate 1070.24
    methyl lactate 590.94
    butyl lactate 631.51
    diethyl carbonate 598.11
    propanediol butyl ether 729.68
    triethyl orthoformate 597.47
    p-tert-butyltoluene 210.81
    methyl 4-tert-butylbenzoate 527.03
    morpholine 4833.39
    tert-butylamine 1697.38
    n-dodecanol 132.37
    dimethoxymethane 1454.96
    ethylene carbonate 1268.16
    cyrene 550.02
    2-ethoxyethyl acetate 1068.72
    2-ethylhexyl acetate 877.12
    1,2,4-trichlorobenzene 1129.75
    4-methylpyridine 2210.3
    dibutyl ether 680.02
    2,6-dimethyl-4-heptanol 322.21
    DEF 2253.44
    dimethyl isosorbide 1031.55
    tetrachloroethylene 3286.86
    eugenol 518.15
    triacetin 812.13
    span 80 627.06
    1,4-butanediol 612.94
    1,1-dichloroethane 3642.31
    2-methyl-1-pentanol 1048.74
    methyl formate 1141.94
    2-methyl-1-butanol 1497.35
    n-decane 46.31
    butyronitrile 2217.05
    3,7-dimethyl-1-octanol 374.19
    1-chlorooctane 272.19
    1-chlorotetradecane 80.12
    n-nonane 50.65
    undecane 29.17
    tert-butylcyclohexane 110.08
    cyclooctane 105.27
    cyclopentanol 2031.87
    tetrahydropyran 4430.5
    tert-amyl methyl ether 1255.04
    2,5,8-trioxanonane 1160.55
    1-hexene 750.95
    2-isopropoxyethanol 1255.44
    2,2,2-trifluoroethanol 655.49
    methyl butyrate 2149.86

    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