Octanol, acetate, mono[(acetyloxy)methyl] deriv.

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  • Identifiers

    CAS number
    68683-25-0

    Molecular formula
    C13H24O4

    SMILES
    CCCCCCCC(COC(=O)C)OC(=O)C

  • Odor profile

    Fragrance
    Floral 66.15%
    Fruity 45.74%
    Fresh 45.04%
    Jasmin 33.62%
    Oily 33.22%
    Waxy 33.18%
    Sweet 31.57%
    Lactonic 28.49%
    Herbal 28.1%
    Muguet 26.37%

     

    Flavor
    Fruity 67.92%
    Green 57.2%
    Tropical 47.61%
    Waxy 46.47%
    Sweet 44.82%
    Fruit 39.19%
    Woody 38.79%
    Fresh 36.27%
    Herbal 36.21%
    Floral 36.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.26 (neutral)

    Molecular weight
    244.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Flash point

    • 143.01 ˚C est.

  • Synonyms

    • Mono((acetyloxy)methyl)octanol acetate
    • 68683-25-0
    • EINECS 272-068-1
    • Octanol, acetate, mono((acetyloxy)methyl) deriv.
    • Octanol, acetate, mono[(acetyloxy)methyl] deriv.
    • Octyl acetate, mono(methyl acetate) derivative
    • Nonane-1,2-diyl diacetate
    • SCHEMBL3505846
    • DTXSID70867708
    • FLTHTXOHIZKWMR-UHFFFAOYSA-N
    • NS00013090
    • Octanol, acetate, mono(acetyloxy)methyl deriv.

  • Applications

    Octanol, acetate, mono[(acetyloxy)methyl] deriv. (CAS 68683-25-0) is used primarily as an intermediate and solvent in diverse industrial formulations. In fragrance and cosmetics, it can function as a solvent or carrier for fragrance components and active ingredients. In coatings and inks, it serves as a processing solvent to help control evaporation and film formation. In cleaning products, it provides solvency for formulation of surfactants and additives. In polymers and plastics, it can act as a processing aid or plasticizer derived from ester chemistries, supporting formulation flexibility. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 551.67
    methanol 807.64
    isopropanol 391.89
    water 0.43
    ethyl acetate 466.75
    n-propanol 366.2
    acetone 922.39
    n-butanol 302.83
    acetonitrile 490.2
    DMF 1440.62
    toluene 215.66
    isobutanol 275.75
    1,4-dioxane 637.18
    methyl acetate 438.68
    THF 1073.98
    2-butanone 545.96
    n-pentanol 256.24
    sec-butanol 318.32
    n-hexane 32.72
    ethylene glycol 85.25
    NMP 1307.58
    cyclohexane 42.74
    DMSO 1881.17
    n-butyl acetate 365.22
    n-octanol 74.17
    chloroform 1287.86
    n-propyl acetate 332.43
    acetic acid 859.59
    dichloromethane 1215.53
    cyclohexanone 922.91
    propylene glycol 136.51
    isopropyl acetate 356.76
    DMAc 1590.49
    2-ethoxyethanol 480.62
    isopentanol 303.26
    n-heptane 8.05
    ethyl formate 298.58
    1,2-dichloroethane 876.38
    n-hexanol 180.87
    2-methoxyethanol 686.29
    isobutyl acetate 245.11
    tetrachloromethane 160.74
    n-pentyl acetate 187.48
    transcutol 1359.06
    n-heptanol 64.99
    ethylbenzene 137.62
    MIBK 316.02
    2-propoxyethanol 408.82
    tert-butanol 555.44
    MTBE 455.11
    2-butoxyethanol 203.73
    propionic acid 419.57
    o-xylene 172.21
    formic acid 295.06
    diethyl ether 374.19
    m-xylene 157.56
    p-xylene 191.87
    chlorobenzene 375.08
    dimethyl carbonate 161.51
    n-octane 4.26
    formamide 440.59
    cyclopentanone 958.57
    2-pentanone 432.37
    anisole 303.95
    cyclopentyl methyl ether 471.27
    gamma-butyrolactone 1047.9
    1-methoxy-2-propanol 489.08
    pyridine 612.5
    3-pentanone 343.69
    furfural 906.87
    n-dodecane 4.03
    diethylene glycol 306.25
    diisopropyl ether 98.28
    tert-amyl alcohol 444.51
    acetylacetone 649.42
    n-hexadecane 4.87
    acetophenone 349.32
    methyl propionate 353.65
    isopentyl acetate 363.56
    trichloroethylene 1472.71
    n-nonanol 69.21
    cyclohexanol 329.25
    benzyl alcohol 265.16
    2-ethylhexanol 116.32
    isooctanol 61.29
    dipropyl ether 123.39
    1,2-dichlorobenzene 370.66
    ethyl lactate 153.67
    propylene carbonate 563.96
    n-methylformamide 542.11
    2-pentanol 186.56
    n-pentane 18.25
    1-propoxy-2-propanol 274.76
    1-methoxy-2-propyl acetate 358.11
    2-(2-methoxypropoxy) propanol 299.33
    mesitylene 94.44
    ε-caprolactone 768.66
    p-cymene 68.77
    epichlorohydrin 1079.24
    1,1,1-trichloroethane 731.01
    2-aminoethanol 220.51
    morpholine-4-carbaldehyde 954.97
    sulfolane 1477.64
    2,2,4-trimethylpentane 17.98
    2-methyltetrahydrofuran 750.72
    n-hexyl acetate 262.68
    isooctane 10.62
    2-(2-butoxyethoxy)ethanol 364.36
    sec-butyl acetate 259.15
    tert-butyl acetate 411.63
    decalin 35.53
    glycerin 219.42
    diglyme 704.51
    acrylic acid 356.17
    isopropyl myristate 90.3
    n-butyric acid 551.25
    acetyl acetate 403.81
    di(2-ethylhexyl) phthalate 121.85
    ethyl propionate 289.49
    nitromethane 1212.13
    1,2-diethoxyethane 341.78
    benzonitrile 360.02
    trioctyl phosphate 70.77
    1-bromopropane 406.0
    gamma-valerolactone 1187.52
    n-decanol 47.5
    triethyl phosphate 143.22
    4-methyl-2-pentanol 122.86
    propionitrile 331.6
    vinylene carbonate 480.49
    1,1,2-trichlorotrifluoroethane 894.26
    DMS 269.0
    cumene 93.1
    2-octanol 49.0
    2-hexanone 356.11
    octyl acetate 113.16
    limonene 109.13
    1,2-dimethoxyethane 850.45
    ethyl orthosilicate 134.25
    tributyl phosphate 120.8
    diacetone alcohol 427.21
    N,N-dimethylaniline 220.22
    acrylonitrile 412.24
    aniline 311.45
    1,3-propanediol 323.03
    bromobenzene 403.36
    dibromomethane 763.71
    1,1,2,2-tetrachloroethane 1362.67
    2-methyl-cyclohexyl acetate 231.38
    tetrabutyl urea 153.38
    diisobutyl methanol 70.33
    2-phenylethanol 203.36
    styrene 185.8
    dioctyl adipate 184.89
    dimethyl sulfate 402.11
    ethyl butyrate 232.56
    methyl lactate 194.05
    butyl lactate 186.61
    diethyl carbonate 175.83
    propanediol butyl ether 232.91
    triethyl orthoformate 174.53
    p-tert-butyltoluene 65.51
    methyl 4-tert-butylbenzoate 248.48
    morpholine 901.8
    tert-butylamine 304.22
    n-dodecanol 34.0
    dimethoxymethane 492.33
    ethylene carbonate 416.82
    cyrene 301.5
    2-ethoxyethyl acetate 317.11
    2-ethylhexyl acetate 282.69
    1,2,4-trichlorobenzene 460.14
    4-methylpyridine 713.46
    dibutyl ether 130.92
    2,6-dimethyl-4-heptanol 70.33
    DEF 624.73
    dimethyl isosorbide 486.88
    tetrachloroethylene 800.07
    eugenol 229.23
    triacetin 328.86
    span 80 231.03
    1,4-butanediol 145.55
    1,1-dichloroethane 749.45
    2-methyl-1-pentanol 268.38
    methyl formate 354.0
    2-methyl-1-butanol 277.33
    n-decane 7.45
    butyronitrile 358.67
    3,7-dimethyl-1-octanol 102.65
    1-chlorooctane 54.42
    1-chlorotetradecane 19.97
    n-nonane 6.9
    undecane 5.15
    tert-butylcyclohexane 28.64
    cyclooctane 10.31
    cyclopentanol 349.96
    tetrahydropyran 618.72
    tert-amyl methyl ether 346.44
    2,5,8-trioxanonane 484.86
    1-hexene 145.85
    2-isopropoxyethanol 327.48
    2,2,2-trifluoroethanol 278.28
    methyl butyrate 436.35

    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