1,2-Epoxyheptane

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  • Identifiers

    CAS number
    5063-65-0

    Molecular formula
    C7H14O

    SMILES
    CCCCCC1CO1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 77.94%
    Fatty 56.73%
    Fruity 54.56%
    Sweet 54.49%
    Fresh 53.47%
    Floral 45.83%
    Citrus 43.31%
    Oily 38.62%
    Herbal 38.4%
    Waxy 33.76%

     

    Flavor
    Fatty 48.76%
    Green 47.77%
    Sweet 38.73%
    Fruity 38.37%
    Waxy 37.52%
    Fresh 36.45%
    Oily 34.76%
    Metallic 33.04%
    Creamy 32.03%
    Coconut 31.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.63 (weak acid)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point

    • 37.47 ˚C est.

  • Synonyms

    • 1,2-Epoxyheptane
    • 5063-65-0
    • RefChem:411834
    • 679-936-2
    • 2-Pentyloxirane
    • Pentyloxirane
    • 1-Heptene oxide
    • 1,2-Heptylene Oxide
    • Oxirane, pentyl-
    • Heptene 1,2-oxide
    • MFCD00037521
    • Heptane, 1,2-epoxy-
    • Heptylene oxide
    • (R)-1,2-EPOXYHEPTANE
    • Heptane,2-epoxy-
    • 2-Pentyloxirane #
    • NSC 24250
    • (+)-1,2-epoxyheptane
    • SCHEMBL50924
    • SCHEMBL194136
    • SCHEMBL200197
    • SCHEMBL2800934
    • SCHEMBL3676513
    • SCHEMBL19520746
    • SCHEMBL28895757
    • DTXSID30911736
    • NSC24250
    • NSC-24250
    • AKOS009157136
    • BS-22663
    • SY054658
    • CS-0205209
    • E0312
    • T72538
    • EN300-1852162
    • F138000
    • InChI=1/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H
    • 5063-65-0

  • Applications

    1,2-Epoxyheptane (CAS 5063-65-0) is an aliphatic epoxide with a reactive epoxide ring, commonly used as a chemical intermediate in organic synthesis and as a processing aid in epoxy systems. In industrial manufacturing, it often serves as a precursor for glycidyl derivatives and other functional products, enabling polymerization to produce coatings, adhesives, and plastic materials. It is also used as a solvent or processing aid for nonpolar formulations, helping to adjust viscosity and facilitate handling in resin and coating systems. As a longer-chain epoxide, it can act as a building block for polymers and plastics or as a starting point for polyol and epoxy chemistries, and may be considered a reactive intermediate for electronics and protective coatings applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3557.11
    methanol 1955.36
    isopropanol 2779.74
    water 0.2
    ethyl acetate 1855.7
    n-propanol 2560.65
    acetone 2586.66
    n-butanol 2548.87
    acetonitrile 2344.27
    DMF 1053.36
    toluene 761.92
    isobutanol 1673.42
    1,4-dioxane 2875.14
    methyl acetate 1362.84
    THF 4108.79
    2-butanone 1606.56
    n-pentanol 1322.41
    sec-butanol 1798.13
    n-hexane 397.25
    ethylene glycol 369.33
    NMP 703.68
    cyclohexane 962.68
    DMSO 1962.05
    n-butyl acetate 1873.35
    n-octanol 473.28
    chloroform 5213.65
    n-propyl acetate 1109.83
    acetic acid 1979.89
    dichloromethane 5069.81
    cyclohexanone 2166.82
    propylene glycol 663.47
    isopropyl acetate 906.91
    DMAc 497.6
    2-ethoxyethanol 1224.98
    isopentanol 1668.41
    n-heptane 517.54
    ethyl formate 1163.18
    1,2-dichloroethane 2675.57
    n-hexanol 1967.12
    2-methoxyethanol 2066.25
    isobutyl acetate 598.56
    tetrachloromethane 775.74
    n-pentyl acetate 654.44
    transcutol 3085.51
    n-heptanol 536.39
    ethylbenzene 331.43
    MIBK 669.87
    2-propoxyethanol 1970.12
    tert-butanol 2232.34
    MTBE 1539.31
    2-butoxyethanol 809.4
    propionic acid 1364.58
    o-xylene 318.58
    formic acid 327.6
    diethyl ether 2254.38
    m-xylene 372.41
    p-xylene 397.62
    chlorobenzene 1006.36
    dimethyl carbonate 226.09
    n-octane 108.47
    formamide 482.66
    cyclopentanone 1907.81
    2-pentanone 1547.07
    anisole 590.7
    cyclopentyl methyl ether 1465.85
    gamma-butyrolactone 1939.08
    1-methoxy-2-propanol 1521.85
    pyridine 2597.8
    3-pentanone 789.5
    furfural 1456.51
    n-dodecane 59.76
    diethylene glycol 1011.78
    diisopropyl ether 489.1
    tert-amyl alcohol 1275.87
    acetylacetone 1147.31
    n-hexadecane 67.66
    acetophenone 485.42
    methyl propionate 903.67
    isopentyl acetate 1191.12
    trichloroethylene 3687.28
    n-nonanol 388.22
    cyclohexanol 1787.56
    benzyl alcohol 594.77
    2-ethylhexanol 976.52
    isooctanol 399.2
    dipropyl ether 1585.53
    1,2-dichlorobenzene 700.15
    ethyl lactate 333.2
    propylene carbonate 1128.07
    n-methylformamide 841.87
    2-pentanol 1375.67
    n-pentane 491.18
    1-propoxy-2-propanol 1547.58
    1-methoxy-2-propyl acetate 968.69
    2-(2-methoxypropoxy) propanol 491.8
    mesitylene 217.76
    ε-caprolactone 1686.51
    p-cymene 285.97
    epichlorohydrin 2546.43
    1,1,1-trichloroethane 2096.76
    2-aminoethanol 952.46
    morpholine-4-carbaldehyde 1132.65
    sulfolane 1419.21
    2,2,4-trimethylpentane 109.92
    2-methyltetrahydrofuran 2947.88
    n-hexyl acetate 774.16
    isooctane 121.1
    2-(2-butoxyethoxy)ethanol 827.0
    sec-butyl acetate 580.95
    tert-butyl acetate 744.74
    decalin 161.44
    glycerin 547.5
    diglyme 1558.16
    acrylic acid 886.44
    isopropyl myristate 293.11
    n-butyric acid 2383.8
    acetyl acetate 829.09
    di(2-ethylhexyl) phthalate 225.3
    ethyl propionate 690.03
    nitromethane 2129.6
    1,2-diethoxyethane 1511.53
    benzonitrile 1040.78
    trioctyl phosphate 183.14
    1-bromopropane 2399.24
    gamma-valerolactone 2114.84
    n-decanol 267.82
    triethyl phosphate 287.69
    4-methyl-2-pentanol 600.46
    propionitrile 1889.47
    vinylene carbonate 976.53
    1,1,2-trichlorotrifluoroethane 1333.98
    DMS 433.32
    cumene 193.79
    2-octanol 337.1
    2-hexanone 1028.23
    octyl acetate 348.68
    limonene 512.05
    1,2-dimethoxyethane 1997.25
    ethyl orthosilicate 300.03
    tributyl phosphate 257.33
    diacetone alcohol 749.1
    N,N-dimethylaniline 283.57
    acrylonitrile 1686.11
    aniline 841.97
    1,3-propanediol 1444.25
    bromobenzene 1106.5
    dibromomethane 3943.65
    1,1,2,2-tetrachloroethane 2453.51
    2-methyl-cyclohexyl acetate 555.75
    tetrabutyl urea 289.14
    diisobutyl methanol 490.74
    2-phenylethanol 700.91
    styrene 493.29
    dioctyl adipate 389.73
    dimethyl sulfate 248.41
    ethyl butyrate 1118.47
    methyl lactate 345.18
    butyl lactate 444.78
    diethyl carbonate 614.66
    propanediol butyl ether 630.46
    triethyl orthoformate 653.5
    p-tert-butyltoluene 257.53
    methyl 4-tert-butylbenzoate 339.68
    morpholine 3512.09
    tert-butylamine 1558.3
    n-dodecanol 199.11
    dimethoxymethane 1028.3
    ethylene carbonate 951.99
    cyrene 346.58
    2-ethoxyethyl acetate 755.99
    2-ethylhexyl acetate 873.04
    1,2,4-trichlorobenzene 755.74
    4-methylpyridine 1689.61
    dibutyl ether 869.97
    2,6-dimethyl-4-heptanol 490.74
    DEF 1013.66
    dimethyl isosorbide 734.57
    tetrachloroethylene 1712.3
    eugenol 349.44
    triacetin 542.6
    span 80 589.21
    1,4-butanediol 474.96
    1,1-dichloroethane 2981.07
    2-methyl-1-pentanol 846.06
    methyl formate 551.34
    2-methyl-1-butanol 1331.01
    n-decane 112.48
    butyronitrile 2627.76
    3,7-dimethyl-1-octanol 508.44
    1-chlorooctane 352.97
    1-chlorotetradecane 125.88
    n-nonane 128.75
    undecane 76.96
    tert-butylcyclohexane 133.37
    cyclooctane 227.07
    cyclopentanol 1781.83
    tetrahydropyran 3949.68
    tert-amyl methyl ether 770.52
    2,5,8-trioxanonane 844.39
    1-hexene 1110.46
    2-isopropoxyethanol 830.42
    2,2,2-trifluoroethanol 331.17
    methyl butyrate 1037.96

    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