1,2-Epoxydecane

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  • Identifiers

    CAS number
    2404-44-6

    Molecular formula
    C10H20O

    SMILES
    CCCCCCCCC1CO1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fatty 59.23%
    Floral 52.18%
    Waxy 51.92%
    Fruity 51.42%
    Citrus 50.16%
    Oily 45.18%
    Fresh 41.12%
    Green 36.06%
    Sweet 36.05%
    Orange 35.25%

     

    Flavor
    Waxy 50.2%
    Fatty 48.9%
    Oily 32.61%
    Fat 32.37%
    Coconut 29.17%
    Fresh 28.01%
    Creamy 27.95%
    Fruity 27.1%
    Mild 26.91%
    Flower 25.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.01 (neutral)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 234 to 235 °F at 35 mmHg (NTP, 1992)

    Flash point

    • 71.28 ˚C est.
    • 173 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)

  • Synonyms

    • 1,2-EPOXYDECANE
    • 2404-44-6
    • 2-Octyloxirane
    • Oxirane, octyl-
    • 1,2-Decylene Oxide
    • Octyloxirane
    • 1-Decene oxide
    • Oxirane, 2-octyl-
    • Q312EN88HU
    • DTXSID4025242
    • NSC-16197
    • CCRIS 2615
    • EINECS 219-295-4
    • NSC 16197
    • UNII-Q312EN88HU
    • decene oxide
    • epoxy decane
    • AI3-14198
    • MFCD00221495
    • Oxirane,octyl-
    • 2-Octyloxirane #
    • 1,2-epoxy decane
    • 1,2-epoxy-decane
    • EINECS 270-215-4
    • MFCD00005158
    • OCTYLEPOXYETHANE
    • Decane, 1,2-epoxy
    • 1-DECENE EPOXIDE
    • 1,2-DECENE OXIDE
    • EC 219-295-4
    • 1,2-DECENE EPOXIDE
    • SCHEMBL52034
    • DECANE, 1,2-EPOXY-
    • DTXCID905242
    • QSPL 142
    • CHEMBL1422466
    • NSC16197
    • (+/-)-1,2-EPOXYDECANE
    • Tox21_200306
    • MFCD27929184
    • AKOS015855777
    • 1,2-EPOXYDECANE, (+/-)-
    • NCGC00091077-01
    • NCGC00091077-02
    • NCGC00257860-01
    • LS-13885
    • SY325300
    • SY325301
    • CAS-2404-44-6
    • CS-0204736
    • E0315
    • NS00003272
    • D90479
    • Q27286940

  • Applications

    1,2-Epoxydecane (CAS 2404-44-6) is primarily used as a chemical intermediate and a reactive diluent in coatings, adhesives, and polymer formulations. It serves as a building block for downstream synthesis, including ring-opening reactions to prepare polyether polyols and other functional molecules. It can act as a processing solvent or processing aid in specialty formulations and as a precursor for the manufacture of surfactants and other additives. In some applications it is evaluated for fragrance or cosmetic formulations, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6146.26
    methanol 3261.26
    isopropanol 6180.08
    water 0.02
    ethyl acetate 7496.36
    n-propanol 5624.96
    acetone 7949.15
    n-butanol 5577.16
    acetonitrile 5015.74
    DMF 2257.93
    toluene 2323.24
    isobutanol 3774.71
    1,4-dioxane 8542.43
    methyl acetate 4217.44
    THF 12244.26
    2-butanone 6498.46
    n-pentanol 3085.57
    sec-butanol 4817.71
    n-hexane 2110.52
    ethylene glycol 344.56
    NMP 1335.51
    cyclohexane 3615.63
    DMSO 4264.9
    n-butyl acetate 6066.9
    n-octanol 876.56
    chloroform 10195.67
    n-propyl acetate 4484.65
    acetic acid 2661.12
    dichloromethane 10455.25
    cyclohexanone 6924.99
    propylene glycol 849.81
    isopropyl acetate 4117.14
    DMAc 1309.91
    2-ethoxyethanol 3330.57
    isopentanol 4447.0
    n-heptane 1338.78
    ethyl formate 2326.61
    1,2-dichloroethane 7403.02
    n-hexanol 3918.94
    2-methoxyethanol 4658.84
    isobutyl acetate 2263.42
    tetrachloromethane 1789.18
    n-pentyl acetate 2191.38
    transcutol 9174.21
    n-heptanol 1034.52
    ethylbenzene 1056.13
    MIBK 2843.84
    2-propoxyethanol 4696.84
    tert-butanol 5839.11
    MTBE 7244.57
    2-butoxyethanol 1924.97
    propionic acid 2331.08
    o-xylene 840.1
    formic acid 314.25
    diethyl ether 11185.56
    m-xylene 1116.76
    p-xylene 1105.0
    chlorobenzene 2276.07
    dimethyl carbonate 512.16
    n-octane 304.97
    formamide 577.03
    cyclopentanone 5309.78
    2-pentanone 6532.74
    anisole 1720.49
    cyclopentyl methyl ether 5491.98
    gamma-butyrolactone 4038.75
    1-methoxy-2-propanol 4023.3
    pyridine 6100.03
    3-pentanone 3380.4
    furfural 2693.33
    n-dodecane 125.87
    diethylene glycol 1794.44
    diisopropyl ether 2669.21
    tert-amyl alcohol 3633.42
    acetylacetone 3800.83
    n-hexadecane 154.28
    acetophenone 1289.62
    methyl propionate 3194.69
    isopentyl acetate 4103.12
    trichloroethylene 8793.13
    n-nonanol 774.68
    cyclohexanol 4569.58
    benzyl alcohol 1333.05
    2-ethylhexanol 2187.13
    isooctanol 917.59
    dipropyl ether 6131.77
    1,2-dichlorobenzene 1656.55
    ethyl lactate 810.09
    propylene carbonate 2265.15
    n-methylformamide 1386.22
    2-pentanol 4382.93
    n-pentane 1734.42
    1-propoxy-2-propanol 3973.02
    1-methoxy-2-propyl acetate 3229.96
    2-(2-methoxypropoxy) propanol 1004.91
    mesitylene 698.52
    ε-caprolactone 4949.88
    p-cymene 651.75
    epichlorohydrin 6747.78
    1,1,1-trichloroethane 5629.82
    2-aminoethanol 1163.51
    morpholine-4-carbaldehyde 2421.36
    sulfolane 3113.43
    2,2,4-trimethylpentane 362.32
    2-methyltetrahydrofuran 9277.04
    n-hexyl acetate 2176.05
    isooctane 408.55
    2-(2-butoxyethoxy)ethanol 1857.55
    sec-butyl acetate 2620.02
    tert-butyl acetate 3282.97
    decalin 579.4
    glycerin 717.43
    diglyme 4196.76
    acrylic acid 1213.88
    isopropyl myristate 721.71
    n-butyric acid 5131.25
    acetyl acetate 2387.83
    di(2-ethylhexyl) phthalate 407.46
    ethyl propionate 2911.66
    nitromethane 3724.69
    1,2-diethoxyethane 5903.31
    benzonitrile 1933.8
    trioctyl phosphate 348.73
    1-bromopropane 7474.4
    gamma-valerolactone 5469.47
    n-decanol 518.51
    triethyl phosphate 740.67
    4-methyl-2-pentanol 1751.9
    propionitrile 4958.45
    vinylene carbonate 1680.68
    1,1,2-trichlorotrifluoroethane 2979.01
    DMS 1148.65
    cumene 550.61
    2-octanol 697.21
    2-hexanone 4084.96
    octyl acetate 777.11
    limonene 1345.14
    1,2-dimethoxyethane 6346.26
    ethyl orthosilicate 822.79
    tributyl phosphate 523.7
    diacetone alcohol 2453.26
    N,N-dimethylaniline 773.6
    acrylonitrile 3505.6
    aniline 2019.38
    1,3-propanediol 2215.22
    bromobenzene 2673.0
    dibromomethane 8779.97
    1,1,2,2-tetrachloroethane 6701.65
    2-methyl-cyclohexyl acetate 1458.04
    tetrabutyl urea 583.31
    diisobutyl methanol 1233.5
    2-phenylethanol 1483.85
    styrene 1491.92
    dioctyl adipate 875.54
    dimethyl sulfate 583.1
    ethyl butyrate 3485.93
    methyl lactate 742.98
    butyl lactate 1117.63
    diethyl carbonate 1585.49
    propanediol butyl ether 1165.16
    triethyl orthoformate 1953.09
    p-tert-butyltoluene 631.29
    methyl 4-tert-butylbenzoate 747.62
    morpholine 11035.86
    tert-butylamine 4150.62
    n-dodecanol 375.31
    dimethoxymethane 3144.54
    ethylene carbonate 1870.31
    cyrene 671.12
    2-ethoxyethyl acetate 2403.5
    2-ethylhexyl acetate 2984.7
    1,2,4-trichlorobenzene 1727.89
    4-methylpyridine 4312.19
    dibutyl ether 3096.95
    2,6-dimethyl-4-heptanol 1233.5
    DEF 3681.92
    dimethyl isosorbide 1622.72
    tetrachloroethylene 4481.27
    eugenol 670.32
    triacetin 1312.82
    span 80 1066.2
    1,4-butanediol 731.66
    1,1-dichloroethane 8030.9
    2-methyl-1-pentanol 2313.81
    methyl formate 856.09
    2-methyl-1-butanol 3441.67
    n-decane 286.86
    butyronitrile 6339.72
    3,7-dimethyl-1-octanol 1127.8
    1-chlorooctane 940.13
    1-chlorotetradecane 278.5
    n-nonane 335.97
    undecane 179.17
    tert-butylcyclohexane 481.49
    cyclooctane 843.55
    cyclopentanol 3762.04
    tetrahydropyran 14491.04
    tert-amyl methyl ether 3527.21
    2,5,8-trioxanonane 1839.81
    1-hexene 5203.2
    2-isopropoxyethanol 2438.48
    2,2,2-trifluoroethanol 434.35
    methyl butyrate 3817.38

    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