1-Methoxytridec-5-ene

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  • Identifiers

    CAS number
    93981-59-0

    Molecular formula
    C14H28O

    SMILES
    CCCCCCC/C=C/CCCCOC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 59.91%
    Fatty 54.47%
    Waxy 54.39%
    Citrus 48.7%
    Oily 41.92%
    Fresh 40.45%
    Floral 32.77%
    Herbal 32.07%
    Green 31.38%
    Orange 30.35%

     

    Flavor
    Waxy 37.14%
    Fresh 24.96%
    Floral 22.56%
    Rose 21.92%
    Citrus 21.71%
    Delicate 21.64%
    Honeydew 21.6%
    Incense 20.97%
    Citrus peel 20.94%
    Coumarinic 20.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    6.86 (neutral)

    Molecular weight
    212.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    264°C

    Flash point

    • 104.82 ˚C est.

  • Synonyms

    • 1-Methoxytridec-5-ene
    • 93981-59-0
    • 5-Tridecene, 1-methoxy-
    • EINECS 301-146-0
    • RefChem:76185
    • 301-146-0
    • (E)-1-methoxytridec-5-ene
    • YPYDBPSWBZGYLW-MDZDMXLPSA-N
    • NS00012841
    • 93981-59-0

  • Applications

    1-Methoxytridec-5-ene (CAS 93981-59-0) may serve as a solvent or processing aid in industrial and cosmetic applications; it can function as an intermediate in organic synthesis; it may be used as a fragrance ingredient or odorant modifier in perfumery; it may act as a solvent or formulation component in household and personal care products; and it can serve as a reactive diluent or processing aid in polymer formulations and plastics processing; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5234.47
    methanol 2672.86
    isopropanol 5937.57
    water 0.02
    ethyl acetate 8439.04
    n-propanol 5281.69
    acetone 6955.58
    n-butanol 5928.45
    acetonitrile 3142.68
    DMF 2046.94
    toluene 2867.12
    isobutanol 4110.46
    1,4-dioxane 9318.51
    methyl acetate 3881.05
    THF 12561.64
    2-butanone 6202.28
    n-pentanol 4045.04
    sec-butanol 5834.1
    n-hexane 4926.89
    ethylene glycol 183.12
    NMP 1563.53
    cyclohexane 10175.81
    DMSO 4943.88
    n-butyl acetate 7052.62
    n-octanol 1462.61
    chloroform 9770.95
    n-propyl acetate 5793.26
    acetic acid 1769.37
    dichloromethane 10222.61
    cyclohexanone 7780.18
    propylene glycol 579.14
    isopropyl acetate 5127.39
    DMAc 1820.87
    2-ethoxyethanol 3638.16
    isopentanol 5477.08
    n-heptane 3665.78
    ethyl formate 2125.6
    1,2-dichloroethane 8684.55
    n-hexanol 4524.25
    2-methoxyethanol 4231.67
    isobutyl acetate 2811.64
    tetrachloromethane 2710.25
    n-pentyl acetate 3408.86
    transcutol 10411.6
    n-heptanol 1570.07
    ethylbenzene 1496.68
    MIBK 3790.7
    2-propoxyethanol 4320.16
    tert-butanol 7699.87
    MTBE 10921.49
    2-butoxyethanol 2218.63
    propionic acid 1786.49
    o-xylene 1421.51
    formic acid 169.94
    diethyl ether 16385.42
    m-xylene 1650.21
    p-xylene 1623.4
    chlorobenzene 2363.82
    dimethyl carbonate 503.27
    n-octane 793.43
    formamide 314.01
    cyclopentanone 4827.42
    2-pentanone 7340.62
    anisole 2043.31
    cyclopentyl methyl ether 8110.7
    gamma-butyrolactone 3466.48
    1-methoxy-2-propanol 3890.14
    pyridine 5350.02
    3-pentanone 4355.31
    furfural 2243.68
    n-dodecane 260.14
    diethylene glycol 1308.94
    diisopropyl ether 4533.22
    tert-amyl alcohol 6020.37
    acetylacetone 3791.9
    n-hexadecane 310.5
    acetophenone 1455.28
    methyl propionate 3331.18
    isopentyl acetate 5040.02
    trichloroethylene 9020.3
    n-nonanol 1285.21
    cyclohexanol 6177.32
    benzyl alcohol 1355.95
    2-ethylhexanol 3505.3
    isooctanol 1504.28
    dipropyl ether 9960.35
    1,2-dichlorobenzene 1985.73
    ethyl lactate 942.4
    propylene carbonate 2083.25
    n-methylformamide 973.93
    2-pentanol 5614.23
    n-pentane 4264.12
    1-propoxy-2-propanol 4609.41
    1-methoxy-2-propyl acetate 3532.45
    2-(2-methoxypropoxy) propanol 1304.26
    mesitylene 1136.07
    ε-caprolactone 5816.89
    p-cymene 1136.91
    epichlorohydrin 6638.59
    1,1,1-trichloroethane 8311.06
    2-aminoethanol 785.67
    morpholine-4-carbaldehyde 2629.09
    sulfolane 3345.03
    2,2,4-trimethylpentane 932.52
    2-methyltetrahydrofuran 12927.75
    n-hexyl acetate 3420.97
    isooctane 841.76
    2-(2-butoxyethoxy)ethanol 2285.0
    sec-butyl acetate 3914.69
    tert-butyl acetate 4893.92
    decalin 1396.5
    glycerin 497.71
    diglyme 5081.67
    acrylic acid 796.27
    isopropyl myristate 1051.59
    n-butyric acid 5092.92
    acetyl acetate 2634.85
    di(2-ethylhexyl) phthalate 535.13
    ethyl propionate 4130.75
    nitromethane 2741.42
    1,2-diethoxyethane 8506.75
    benzonitrile 1779.0
    trioctyl phosphate 495.25
    1-bromopropane 10917.29
    gamma-valerolactone 5339.51
    n-decanol 835.21
    triethyl phosphate 1093.6
    4-methyl-2-pentanol 2535.53
    propionitrile 3572.97
    vinylene carbonate 1437.27
    1,1,2-trichlorotrifluoroethane 2767.44
    DMS 1223.9
    cumene 886.49
    2-octanol 1241.96
    2-hexanone 5056.25
    octyl acetate 1169.64
    limonene 2667.27
    1,2-dimethoxyethane 7651.71
    ethyl orthosilicate 1412.32
    tributyl phosphate 715.89
    diacetone alcohol 3158.13
    N,N-dimethylaniline 1133.98
    acrylonitrile 2253.89
    aniline 2242.13
    1,3-propanediol 1736.31
    bromobenzene 2917.04
    dibromomethane 9283.45
    1,1,2,2-tetrachloroethane 8205.94
    2-methyl-cyclohexyl acetate 2159.99
    tetrabutyl urea 855.2
    diisobutyl methanol 2200.24
    2-phenylethanol 1505.29
    styrene 1953.79
    dioctyl adipate 1246.99
    dimethyl sulfate 650.89
    ethyl butyrate 5306.39
    methyl lactate 665.76
    butyl lactate 1428.93
    diethyl carbonate 2166.64
    propanediol butyl ether 1227.21
    triethyl orthoformate 3142.68
    p-tert-butyltoluene 1084.49
    methyl 4-tert-butylbenzoate 1072.58
    morpholine 12032.33
    tert-butylamine 6816.27
    n-dodecanol 632.69
    dimethoxymethane 3198.91
    ethylene carbonate 1779.51
    cyrene 817.9
    2-ethoxyethyl acetate 3143.21
    2-ethylhexyl acetate 4049.64
    1,2,4-trichlorobenzene 1984.46
    4-methylpyridine 4644.61
    dibutyl ether 6203.18
    2,6-dimethyl-4-heptanol 2200.24
    DEF 4793.75
    dimethyl isosorbide 2047.4
    tetrachloroethylene 5630.31
    eugenol 859.34
    triacetin 1730.38
    span 80 1394.39
    1,4-butanediol 667.05
    1,1-dichloroethane 9726.48
    2-methyl-1-pentanol 3427.86
    methyl formate 633.39
    2-methyl-1-butanol 4600.62
    n-decane 685.52
    butyronitrile 5786.6
    3,7-dimethyl-1-octanol 1853.45
    1-chlorooctane 1842.68
    1-chlorotetradecane 500.1
    n-nonane 857.57
    undecane 389.03
    tert-butylcyclohexane 1130.76
    cyclooctane 2370.28
    cyclopentanol 3894.49
    tetrahydropyran 19954.24
    tert-amyl methyl ether 6164.71
    2,5,8-trioxanonane 2348.02
    1-hexene 8543.18
    2-isopropoxyethanol 2923.7
    2,2,2-trifluoroethanol 319.99
    methyl butyrate 5459.49

    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