2-((4-Methoxyphenyl)methylene)heptanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85711-94-0

    Molecular formula
    C15H20O2

    SMILES
    CCCCCC(=CC1=CC=C(C=C1)OC)C=O

  • Odor profile

    Fragrance
    Floral 79.13%
    Green 75.8%
    Fruity 59.23%
    Sweet 59.13%
    Jasmin 53.09%
    Herbal 50.85%
    Fresh 45.78%
    Oily 38.04%
    Waxy 37.9%
    Spicy 36.92%

     

    Flavor
    Herbal 52.62%
    Floral 47.38%
    Green 42.69%
    Fresh 41.21%
    Spicy 37.98%
    Waxy 32.97%
    Jasmin 31.97%
    Oily 30.15%
    Woody 29.16%
    Balsam 29.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.38 (weak base)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 147.15 ˚C est.

  • Synonyms

    • 2-[(4-Methoxyphenyl)methylene]heptanal
    • 85711-94-0
    • 2-((4-Methoxyphenyl)methylene)heptanal
    • ULNWJBBIVSQKGC-UHFFFAOYSA-N
    • DTXSID001285091
    • NS00065032

  • Applications

    2-((4-Methoxyphenyl)methylene)heptanal (CAS 85711-94-0) is primarily used in fragrance-related applications, serving as a fragrance intermediate and odorant for perfumery and cosmetic formulations. It is also evaluated as a synthesis precursor for related aroma compounds in industrial manufacturing and may appear as a scent component in household products, coatings, inks, and adhesives. In the field of plastics and polymers, the compound can be incorporated to enable fragrance release or as a reactive intermediate in scent-related additive packages. Its use is typically as an intermediate or odorant, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1563.28
    methanol 1775.22
    isopropanol 656.13
    water 0.06
    ethyl acetate 3330.1
    n-propanol 1073.41
    acetone 1693.07
    n-butanol 797.03
    acetonitrile 1826.39
    DMF 952.71
    toluene 808.72
    isobutanol 475.28
    1,4-dioxane 2044.02
    methyl acetate 1818.58
    THF 1461.33
    2-butanone 1699.24
    n-pentanol 463.1
    sec-butanol 555.06
    n-hexane 15.76
    ethylene glycol 149.37
    NMP 505.01
    cyclohexane 53.91
    DMSO 1849.66
    n-butyl acetate 841.87
    n-octanol 67.86
    chloroform 3719.79
    n-propyl acetate 888.75
    acetic acid 752.45
    dichloromethane 5132.18
    cyclohexanone 1406.32
    propylene glycol 334.75
    isopropyl acetate 1067.72
    DMAc 857.12
    2-ethoxyethanol 1059.97
    isopentanol 515.57
    n-heptane 9.7
    ethyl formate 770.8
    1,2-dichloroethane 3947.31
    n-hexanol 317.57
    2-methoxyethanol 1869.8
    isobutyl acetate 410.11
    tetrachloromethane 224.93
    n-pentyl acetate 273.18
    transcutol 3468.49
    n-heptanol 80.27
    ethylbenzene 229.5
    MIBK 499.63
    2-propoxyethanol 791.53
    tert-butanol 645.98
    MTBE 811.98
    2-butoxyethanol 275.63
    propionic acid 668.34
    o-xylene 248.33
    formic acid 222.5
    diethyl ether 1890.86
    m-xylene 311.16
    p-xylene 226.62
    chlorobenzene 881.08
    dimethyl carbonate 428.6
    n-octane 4.85
    formamide 569.31
    cyclopentanone 1261.58
    2-pentanone 1337.66
    anisole 609.52
    cyclopentyl methyl ether 828.16
    gamma-butyrolactone 1290.14
    1-methoxy-2-propanol 1047.19
    pyridine 1939.38
    3-pentanone 906.35
    furfural 1144.04
    n-dodecane 5.11
    diethylene glycol 582.07
    diisopropyl ether 206.93
    tert-amyl alcohol 479.1
    acetylacetone 1351.28
    n-hexadecane 6.21
    acetophenone 496.52
    methyl propionate 1614.01
    isopentyl acetate 610.15
    trichloroethylene 5098.52
    n-nonanol 66.13
    cyclohexanol 502.79
    benzyl alcohol 460.03
    2-ethylhexanol 159.75
    isooctanol 73.76
    dipropyl ether 283.39
    1,2-dichlorobenzene 659.52
    ethyl lactate 235.3
    propylene carbonate 691.26
    n-methylformamide 788.08
    2-pentanol 426.4
    n-pentane 14.68
    1-propoxy-2-propanol 468.01
    1-methoxy-2-propyl acetate 810.61
    2-(2-methoxypropoxy) propanol 321.01
    mesitylene 141.26
    ε-caprolactone 1101.81
    p-cymene 90.59
    epichlorohydrin 2881.71
    1,1,1-trichloroethane 1743.72
    2-aminoethanol 460.7
    morpholine-4-carbaldehyde 920.15
    sulfolane 1155.56
    2,2,4-trimethylpentane 15.22
    2-methyltetrahydrofuran 1244.49
    n-hexyl acetate 310.5
    isooctane 13.06
    2-(2-butoxyethoxy)ethanol 508.23
    sec-butyl acetate 518.91
    tert-butyl acetate 753.42
    decalin 29.38
    glycerin 329.09
    diglyme 1143.05
    acrylic acid 475.24
    isopropyl myristate 110.73
    n-butyric acid 1101.19
    acetyl acetate 995.46
    di(2-ethylhexyl) phthalate 107.6
    ethyl propionate 761.42
    nitromethane 1919.23
    1,2-diethoxyethane 1092.7
    benzonitrile 597.68
    trioctyl phosphate 63.37
    1-bromopropane 1451.24
    gamma-valerolactone 1545.15
    n-decanol 50.55
    triethyl phosphate 167.73
    4-methyl-2-pentanol 166.31
    propionitrile 1088.56
    vinylene carbonate 631.02
    1,1,2-trichlorotrifluoroethane 1174.97
    DMS 443.32
    cumene 114.63
    2-octanol 51.45
    2-hexanone 602.31
    octyl acetate 130.95
    limonene 128.24
    1,2-dimethoxyethane 1325.93
    ethyl orthosilicate 165.7
    tributyl phosphate 105.03
    diacetone alcohol 617.36
    N,N-dimethylaniline 248.98
    acrylonitrile 1255.87
    aniline 791.04
    1,3-propanediol 702.8
    bromobenzene 1005.21
    dibromomethane 2917.62
    1,1,2,2-tetrachloroethane 3431.58
    2-methyl-cyclohexyl acetate 261.16
    tetrabutyl urea 124.51
    diisobutyl methanol 93.81
    2-phenylethanol 364.53
    styrene 384.47
    dioctyl adipate 185.1
    dimethyl sulfate 452.04
    ethyl butyrate 508.37
    methyl lactate 350.95
    butyl lactate 195.53
    diethyl carbonate 341.58
    propanediol butyl ether 232.88
    triethyl orthoformate 275.69
    p-tert-butyltoluene 84.66
    methyl 4-tert-butylbenzoate 238.55
    morpholine 2671.99
    tert-butylamine 314.86
    n-dodecanol 39.67
    dimethoxymethane 1404.53
    ethylene carbonate 552.01
    cyrene 256.7
    2-ethoxyethyl acetate 645.06
    2-ethylhexyl acetate 429.43
    1,2,4-trichlorobenzene 784.42
    4-methylpyridine 1471.13
    dibutyl ether 201.2
    2,6-dimethyl-4-heptanol 93.81
    DEF 1215.57
    dimethyl isosorbide 526.02
    tetrachloroethylene 1761.47
    eugenol 254.93
    triacetin 362.84
    span 80 207.68
    1,4-butanediol 224.01
    1,1-dichloroethane 2685.86
    2-methyl-1-pentanol 361.26
    methyl formate 524.31
    2-methyl-1-butanol 469.45
    n-decane 8.09
    butyronitrile 935.3
    3,7-dimethyl-1-octanol 109.17
    1-chlorooctane 70.5
    1-chlorotetradecane 26.48
    n-nonane 7.21
    undecane 6.13
    tert-butylcyclohexane 24.78
    cyclooctane 12.98
    cyclopentanol 345.05
    tetrahydropyran 1931.6
    tert-amyl methyl ether 464.96
    2,5,8-trioxanonane 668.88
    1-hexene 161.9
    2-isopropoxyethanol 579.29
    2,2,2-trifluoroethanol 173.57
    methyl butyrate 984.47

    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