[(Heptyloxy)methyl]benzene

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  • Identifiers

    CAS number
    16519-20-3

    Molecular formula
    C14H22O

    SMILES
    CCCCCCCOCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 81.58%
    Floral 72.44%
    Green 70.58%
    Herbal 49.79%
    Sweet 47.71%
    Balsamic 41.87%
    Earthy 41.52%
    Rose 41.07%
    Jasmin 37.54%
    Mushroom 35.56%

     

    Flavor
    Green 61.48%
    Floral 60.15%
    Fruity 55.55%
    Rose 49.8%
    Earthy 43.8%
    Sweet 41.63%
    Mushroom 40.38%
    Spicy 36.37%
    Waxy 35.64%
    Herbal 34.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.2 (neutral)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point

    • 113.98 ˚C est.

  • Synonyms

    • 16519-20-3
    • [(heptyloxy)methyl]benzene
    • Benzene,[(heptyloxy)methyl]-
    • benzyloxy-heptane
    • benzyl heptyl ether
    • NSC141821
    • SCHEMBL6685708
    • DTXSID20937046
    • URRIMVUDCOMQIT-UHFFFAOYSA-N
    • NSC-141821
    • DS-000202

  • Applications

    [(Heptyloxy)methyl]benzene (CAS 16519-20-3) is an aryl ether bearing a long heptyl chain and is commonly used as an intermediate in organic synthesis; its nonpolar character can enable use as a nonpolar solvent or co-solvent in coatings, inks, and related formulations. In perfumery and cosmetics, it may serve as a fragrance ingredient or fixative to aid scent retention. It can also function as a solvent or carrier within cosmetic formulations. In polymers and plastics, it may act as a processing aid or plasticizer to improve flexibility and processing. Additionally, due to the ether functionality, it may be evaluated as a cleaning solvent for industrial manufacturing processes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7856.75
    methanol 4765.57
    isopropanol 6559.51
    water 0.07
    ethyl acetate 15998.03
    n-propanol 7192.49
    acetone 13025.45
    n-butanol 7623.82
    acetonitrile 9713.03
    DMF 3808.74
    toluene 3880.66
    isobutanol 5323.56
    1,4-dioxane 11733.29
    methyl acetate 8093.33
    THF 10808.92
    2-butanone 9980.67
    n-pentanol 4683.48
    sec-butanol 6037.93
    n-hexane 3484.42
    ethylene glycol 319.1
    NMP 1961.29
    cyclohexane 5865.76
    DMSO 7828.75
    n-butyl acetate 12109.53
    n-octanol 1482.0
    chloroform 18611.02
    n-propyl acetate 8754.59
    acetic acid 3787.31
    dichloromethane 22411.4
    cyclohexanone 10750.68
    propylene glycol 681.4
    isopropyl acetate 7299.11
    DMAc 2565.28
    2-ethoxyethanol 4236.34
    isopentanol 6165.6
    n-heptane 2312.42
    ethyl formate 5035.95
    1,2-dichloroethane 18532.56
    n-hexanol 5587.55
    2-methoxyethanol 5849.94
    isobutyl acetate 4152.75
    tetrachloromethane 3189.95
    n-pentyl acetate 3879.97
    transcutol 13809.29
    n-heptanol 1560.6
    ethylbenzene 2133.35
    MIBK 4550.76
    2-propoxyethanol 5319.68
    tert-butanol 7018.5
    MTBE 10555.8
    2-butoxyethanol 2491.38
    propionic acid 3362.89
    o-xylene 1767.37
    formic acid 402.41
    diethyl ether 19488.16
    m-xylene 2007.48
    p-xylene 2376.01
    chlorobenzene 4845.06
    dimethyl carbonate 1467.47
    n-octane 569.95
    formamide 852.46
    cyclopentanone 6651.89
    2-pentanone 10063.71
    anisole 3442.11
    cyclopentyl methyl ether 7203.86
    gamma-butyrolactone 6094.31
    1-methoxy-2-propanol 4398.83
    pyridine 9128.51
    3-pentanone 6576.3
    furfural 4251.02
    n-dodecane 249.73
    diethylene glycol 1881.64
    diisopropyl ether 4325.88
    tert-amyl alcohol 4735.14
    acetylacetone 6315.07
    n-hexadecane 296.66
    acetophenone 2708.35
    methyl propionate 6656.17
    isopentyl acetate 7590.28
    trichloroethylene 20315.01
    n-nonanol 1290.51
    cyclohexanol 5653.98
    benzyl alcohol 1983.11
    2-ethylhexanol 3998.63
    isooctanol 1360.73
    dipropyl ether 10219.4
    1,2-dichlorobenzene 3777.0
    ethyl lactate 1358.21
    propylene carbonate 4098.34
    n-methylformamide 2213.57
    2-pentanol 5737.68
    n-pentane 2640.05
    1-propoxy-2-propanol 5063.43
    1-methoxy-2-propyl acetate 4751.03
    2-(2-methoxypropoxy) propanol 1531.66
    mesitylene 1261.87
    ε-caprolactone 7837.74
    p-cymene 1326.85
    epichlorohydrin 10899.03
    1,1,1-trichloroethane 13171.8
    2-aminoethanol 1186.01
    morpholine-4-carbaldehyde 3586.65
    sulfolane 5223.43
    2,2,4-trimethylpentane 666.0
    2-methyltetrahydrofuran 10692.63
    n-hexyl acetate 4023.98
    isooctane 618.97
    2-(2-butoxyethoxy)ethanol 2599.28
    sec-butyl acetate 4939.37
    tert-butyl acetate 5336.03
    decalin 1151.41
    glycerin 621.53
    diglyme 6414.39
    acrylic acid 1853.05
    isopropyl myristate 1364.45
    n-butyric acid 8218.78
    acetyl acetate 5313.01
    di(2-ethylhexyl) phthalate 682.78
    ethyl propionate 6507.8
    nitromethane 6970.77
    1,2-diethoxyethane 10921.98
    benzonitrile 3391.65
    trioctyl phosphate 613.02
    1-bromopropane 14229.06
    gamma-valerolactone 7351.31
    n-decanol 882.03
    triethyl phosphate 1404.23
    4-methyl-2-pentanol 2377.88
    propionitrile 7552.9
    vinylene carbonate 3327.09
    1,1,2-trichlorotrifluoroethane 4416.01
    DMS 2195.35
    cumene 1206.35
    2-octanol 1089.87
    2-hexanone 7247.86
    octyl acetate 1467.31
    limonene 2600.67
    1,2-dimethoxyethane 9446.6
    ethyl orthosilicate 1633.08
    tributyl phosphate 948.42
    diacetone alcohol 3289.5
    N,N-dimethylaniline 1646.61
    acrylonitrile 5694.26
    aniline 3341.26
    1,3-propanediol 2427.34
    bromobenzene 5848.78
    dibromomethane 17075.68
    1,1,2,2-tetrachloroethane 15879.77
    2-methyl-cyclohexyl acetate 2581.07
    tetrabutyl urea 1148.76
    diisobutyl methanol 2042.67
    2-phenylethanol 2236.97
    styrene 3223.04
    dioctyl adipate 1583.63
    dimethyl sulfate 1484.96
    ethyl butyrate 7727.7
    methyl lactate 1170.0
    butyl lactate 1817.87
    diethyl carbonate 3670.49
    propanediol butyl ether 1387.67
    triethyl orthoformate 3631.76
    p-tert-butyltoluene 1153.42
    methyl 4-tert-butylbenzoate 1355.77
    morpholine 13243.97
    tert-butylamine 5548.13
    n-dodecanol 666.2
    dimethoxymethane 5337.89
    ethylene carbonate 3884.11
    cyrene 912.71
    2-ethoxyethyl acetate 4181.9
    2-ethylhexyl acetate 5719.27
    1,2,4-trichlorobenzene 3748.39
    4-methylpyridine 7769.16
    dibutyl ether 6745.53
    2,6-dimethyl-4-heptanol 2042.67
    DEF 7034.85
    dimethyl isosorbide 2436.03
    tetrachloroethylene 9802.31
    eugenol 1197.72
    triacetin 2298.35
    span 80 1446.84
    1,4-butanediol 917.41
    1,1-dichloroethane 17329.74
    2-methyl-1-pentanol 3788.14
    methyl formate 1740.98
    2-methyl-1-butanol 5119.01
    n-decane 561.16
    butyronitrile 10263.72
    3,7-dimethyl-1-octanol 1768.89
    1-chlorooctane 1922.4
    1-chlorotetradecane 564.82
    n-nonane 664.18
    undecane 345.04
    tert-butylcyclohexane 976.17
    cyclooctane 1432.89
    cyclopentanol 3513.37
    tetrahydropyran 19184.94
    tert-amyl methyl ether 5281.22
    2,5,8-trioxanonane 2945.58
    1-hexene 8892.49
    2-isopropoxyethanol 3060.71
    2,2,2-trifluoroethanol 751.23
    methyl butyrate 9048.44

    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