1-(Cyclopropylmethyl)-4-methoxybenzene

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  • Identifiers

    CAS number
    16510-27-3

    Molecular formula
    C11H14O

    SMILES
    COC1=CC=C(C=C1)CC2CC2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 56.81%
    Spicy 54.67%
    Herbal 49.22%
    Anisic 44.43%
    Floral 35.98%
    Earthy 33.16%
    Woody 32.04%
    Green 31.62%
    Balsamic 31.56%
    Animal 28.87%

     

    Flavor
    Sweet 55.13%
    Balsam 38.92%
    Fruity 35.48%
    Rose 34.93%
    Green 33.58%
    Earthy 28.67%
    Anise 28.51%
    Spice 27.26%
    Balsamic 25.38%
    Floral 25.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.83 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 76.91 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 1-(cyclopropylmethyl)-4-methoxybenzene
    • 16510-27-3
    • Benzene, 1-(cyclopropylmethyl)-4-methoxy-
    • 1-CYCLOPROPYLMETHYL-4-METHOXYBENZENE
    • B5O4EJ2WVY
    • UNII-B5O4EJ2WVY
    • CHEMBL176683
    • DTXSID1051773
    • FEMA NO. 4759
    • 1-Cyclopropylmethyl-4-methoxy-benzene
    • ANISOLE, P-(CYCLOPROPYLMETHYL)-
    • 1-CYCLOPROPANEMETHYL-4-METHOXYBENZENE
    • sassafras acetate
    • 1-(Cyclopropylmethyl)-4-(methyloxy)benzene
    • 4-methoxybenzylcyclopropane
    • SCHEMBL622656
    • Anisole, p-(cyclopropylmethyl)
    • DTXCID0030328
    • BDBM50286814
    • NS00019706

  • Applications

    1-(Cyclopropylmethyl)-4-methoxybenzene (CAS 16510-27-3) is typically used as a fragrance ingredient or fragrance intermediate in perfumery and cosmetics, contributing to scent profiles; it may also serve as a synthetic intermediate or building block in pharmaceutical and agrochemical research; in household cleaning and air-care formulations it can function as a fragrance additive to enhance aroma; in industrial manufacturing it is used as a starting material for the synthesis of more complex aromatic compounds; it may also be explored as a precursor or functional building block in polymer or advanced materials research; overall, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2214.94
    methanol 1803.95
    isopropanol 1245.09
    water 0.09
    ethyl acetate 4727.5
    n-propanol 1650.25
    acetone 3970.15
    n-butanol 1304.27
    acetonitrile 3123.94
    DMF 1720.13
    toluene 1523.03
    isobutanol 835.27
    1,4-dioxane 5284.53
    methyl acetate 3472.67
    THF 4580.45
    2-butanone 3286.43
    n-pentanol 775.54
    sec-butanol 996.09
    n-hexane 139.91
    ethylene glycol 479.49
    NMP 849.83
    cyclohexane 231.22
    DMSO 3479.66
    n-butyl acetate 1714.15
    n-octanol 153.29
    chloroform 5903.41
    n-propyl acetate 1539.42
    acetic acid 1409.09
    dichloromethane 7347.39
    cyclohexanone 2390.37
    propylene glycol 652.92
    isopropyl acetate 1662.98
    DMAc 1057.02
    2-ethoxyethanol 2044.75
    isopentanol 882.68
    n-heptane 63.23
    ethyl formate 1232.97
    1,2-dichloroethane 5681.6
    n-hexanol 716.58
    2-methoxyethanol 3401.56
    isobutyl acetate 655.76
    tetrachloromethane 657.62
    n-pentyl acetate 462.47
    transcutol 7400.42
    n-heptanol 158.11
    ethylbenzene 457.41
    MIBK 964.23
    2-propoxyethanol 1877.42
    tert-butanol 1340.69
    MTBE 2365.73
    2-butoxyethanol 534.64
    propionic acid 1294.81
    o-xylene 449.47
    formic acid 416.18
    diethyl ether 4686.72
    m-xylene 567.46
    p-xylene 404.27
    chlorobenzene 1568.14
    dimethyl carbonate 809.5
    n-octane 16.87
    formamide 1015.47
    cyclopentanone 2779.05
    2-pentanone 2447.1
    anisole 1330.87
    cyclopentyl methyl ether 2039.85
    gamma-butyrolactone 2873.78
    1-methoxy-2-propanol 2047.2
    pyridine 3683.79
    3-pentanone 2025.86
    furfural 2074.56
    n-dodecane 12.92
    diethylene glycol 1457.89
    diisopropyl ether 679.11
    tert-amyl alcohol 936.81
    acetylacetone 2380.38
    n-hexadecane 15.92
    acetophenone 829.81
    methyl propionate 2825.46
    isopentyl acetate 1129.82
    trichloroethylene 7833.16
    n-nonanol 141.66
    cyclohexanol 891.25
    benzyl alcohol 782.44
    2-ethylhexanol 358.24
    isooctanol 145.58
    dipropyl ether 880.63
    1,2-dichlorobenzene 1076.77
    ethyl lactate 384.68
    propylene carbonate 1045.96
    n-methylformamide 1423.9
    2-pentanol 790.88
    n-pentane 131.25
    1-propoxy-2-propanol 1105.15
    1-methoxy-2-propyl acetate 1703.84
    2-(2-methoxypropoxy) propanol 649.45
    mesitylene 280.84
    ε-caprolactone 1882.56
    p-cymene 177.01
    epichlorohydrin 5454.45
    1,1,1-trichloroethane 3042.9
    2-aminoethanol 858.94
    morpholine-4-carbaldehyde 1856.22
    sulfolane 2220.06
    2,2,4-trimethylpentane 62.71
    2-methyltetrahydrofuran 3315.92
    n-hexyl acetate 586.87
    isooctane 62.64
    2-(2-butoxyethoxy)ethanol 1065.93
    sec-butyl acetate 867.29
    tert-butyl acetate 1428.84
    decalin 99.06
    glycerin 742.4
    diglyme 2424.12
    acrylic acid 956.37
    isopropyl myristate 203.34
    n-butyric acid 1699.41
    acetyl acetate 1583.41
    di(2-ethylhexyl) phthalate 176.79
    ethyl propionate 1397.44
    nitromethane 3480.75
    1,2-diethoxyethane 2749.64
    benzonitrile 1013.58
    trioctyl phosphate 110.43
    1-bromopropane 2720.0
    gamma-valerolactone 3064.07
    n-decanol 106.2
    triethyl phosphate 291.05
    4-methyl-2-pentanol 379.66
    propionitrile 2008.45
    vinylene carbonate 1024.55
    1,1,2-trichlorotrifluoroethane 2306.99
    DMS 923.34
    cumene 210.89
    2-octanol 100.68
    2-hexanone 1197.74
    octyl acetate 226.36
    limonene 267.75
    1,2-dimethoxyethane 2943.37
    ethyl orthosilicate 296.96
    tributyl phosphate 193.71
    diacetone alcohol 1190.21
    N,N-dimethylaniline 440.69
    acrylonitrile 2243.29
    aniline 1348.07
    1,3-propanediol 1380.62
    bromobenzene 1833.89
    dibromomethane 4651.18
    1,1,2,2-tetrachloroethane 4958.64
    2-methyl-cyclohexyl acetate 435.07
    tetrabutyl urea 197.32
    diisobutyl methanol 245.46
    2-phenylethanol 681.44
    styrene 774.52
    dioctyl adipate 313.38
    dimethyl sulfate 884.54
    ethyl butyrate 918.24
    methyl lactate 624.83
    butyl lactate 325.48
    diethyl carbonate 598.59
    propanediol butyl ether 500.83
    triethyl orthoformate 544.11
    p-tert-butyltoluene 175.05
    methyl 4-tert-butylbenzoate 362.95
    morpholine 5727.9
    tert-butylamine 753.51
    n-dodecanol 82.78
    dimethoxymethane 2751.73
    ethylene carbonate 976.85
    cyrene 431.32
    2-ethoxyethyl acetate 1240.56
    2-ethylhexyl acetate 832.09
    1,2,4-trichlorobenzene 1288.73
    4-methylpyridine 2559.02
    dibutyl ether 555.28
    2,6-dimethyl-4-heptanol 245.46
    DEF 1855.3
    dimethyl isosorbide 932.4
    tetrachloroethylene 2807.82
    eugenol 390.58
    triacetin 662.52
    span 80 404.25
    1,4-butanediol 437.23
    1,1-dichloroethane 4442.85
    2-methyl-1-pentanol 652.79
    methyl formate 969.58
    2-methyl-1-butanol 776.63
    n-decane 22.68
    butyronitrile 1666.56
    3,7-dimethyl-1-octanol 264.56
    1-chlorooctane 163.71
    1-chlorotetradecane 59.22
    n-nonane 21.94
    undecane 16.33
    tert-butylcyclohexane 92.04
    cyclooctane 73.08
    cyclopentanol 827.93
    tetrahydropyran 4273.4
    tert-amyl methyl ether 1194.01
    2,5,8-trioxanonane 1229.06
    1-hexene 621.54
    2-isopropoxyethanol 1141.65
    2,2,2-trifluoroethanol 363.48
    methyl butyrate 1473.22

    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