(4-Methoxyphenyl)methyl heptanoate

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  • Identifiers

    CAS number
    71607-51-7

    Molecular formula
    C15H22O3

    SMILES
    CCCCCCC(=O)OCC1=CC=C(C=C1)OC

  • Odor profile

    Fruity 80.87%
    Sweet 69.11%
    Floral 62.86%
    Herbal 51.05%
    Balsamic 45.53%
    Green 41.98%
    Apricot 36.01%
    Winey 35.14%
    Oily 34.42%
    Jasmin 33.96%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.88 (neutral)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point est.
    142.39 ˚C

  • Synonyms

    • (4-Methoxyphenyl)methyl heptanoate
    • 71607-51-7
    • EINECS 275-692-2
    • Anisyl heptanoate
    • DTXSID20992170
    • NS00062843

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1731.01
    methanol 2919.81
    isopropanol 739.64
    water 0.19
    ethyl acetate 2908.88
    n-propanol 984.99
    acetone 2360.38
    n-butanol 731.67
    acetonitrile 2513.55
    DMF 1349.11
    toluene 533.96
    isobutanol 486.41
    1,4-dioxane 2115.09
    methyl acetate 1643.83
    THF 1568.92
    2-butanone 1565.36
    n-pentanol 491.9
    sec-butanol 565.83
    n-hexane 12.4
    ethylene glycol 135.94
    NMP 781.82
    cyclohexane 50.28
    DMSO 3250.33
    n-butyl acetate 845.67
    n-octanol 83.04
    chloroform 3703.69
    n-propyl acetate 1013.34
    acetic acid 1321.42
    dichloromethane 5204.0
    cyclohexanone 1665.45
    propylene glycol 250.28
    isopropyl acetate 1033.99
    DMAc 1305.88
    2-ethoxyethanol 1164.48
    isopentanol 538.89
    n-heptane 7.4
    ethyl formate 871.9
    1,2-dichloroethane 3593.09
    n-hexanol 279.78
    2-methoxyethanol 1894.94
    isobutyl acetate 470.57
    tetrachloromethane 242.55
    n-pentyl acetate 334.51
    transcutol 3448.39
    n-heptanol 94.35
    ethylbenzene 204.6
    MIBK 532.98
    2-propoxyethanol 682.06
    tert-butanol 803.66
    MTBE 855.8
    2-butoxyethanol 311.29
    propionic acid 827.49
    o-xylene 256.65
    formic acid 432.16
    diethyl ether 1475.98
    m-xylene 253.98
    p-xylene 252.24
    chlorobenzene 811.85
    dimethyl carbonate 411.89
    n-octane 4.25
    formamide 1035.06
    cyclopentanone 1490.51
    2-pentanone 1234.39
    anisole 586.17
    cyclopentyl methyl ether 775.09
    gamma-butyrolactone 1721.32
    1-methoxy-2-propanol 999.18
    pyridine 1743.47
    3-pentanone 831.83
    furfural 1381.25
    n-dodecane 5.11
    diethylene glycol 530.39
    diisopropyl ether 181.64
    tert-amyl alcohol 583.82
    acetylacetone 1499.45
    n-hexadecane 6.03
    acetophenone 563.17
    methyl propionate 1280.38
    isopentyl acetate 635.6
    trichloroethylene 4966.75
    n-nonanol 78.76
    cyclohexanol 548.39
    benzyl alcohol 460.4
    2-ethylhexanol 150.82
    isooctanol 87.25
    dipropyl ether 232.76
    1,2-dichlorobenzene 704.15
    ethyl lactate 269.24
    propylene carbonate 839.33
    n-methylformamide 1010.29
    2-pentanol 377.98
    n-pentane 10.19
    1-propoxy-2-propanol 419.23
    1-methoxy-2-propyl acetate 727.44
    2-(2-methoxypropoxy) propanol 362.08
    mesitylene 136.4
    ε-caprolactone 1294.02
    p-cymene 91.9
    epichlorohydrin 2806.65
    1,1,1-trichloroethane 1742.39
    2-aminoethanol 433.0
    morpholine-4-carbaldehyde 1101.09
    sulfolane 1610.62
    2,2,4-trimethylpentane 14.93
    2-methyltetrahydrofuran 1195.46
    n-hexyl acetate 374.55
    isooctane 11.16
    2-(2-butoxyethoxy)ethanol 556.97
    sec-butyl acetate 576.41
    tert-butyl acetate 793.68
    decalin 29.0
    glycerin 305.74
    diglyme 1273.44
    acrylic acid 606.27
    isopropyl myristate 119.27
    n-butyric acid 1294.44
    acetyl acetate 1158.71
    di(2-ethylhexyl) phthalate 126.45
    ethyl propionate 786.58
    nitromethane 3408.79
    1,2-diethoxyethane 981.54
    benzonitrile 631.08
    trioctyl phosphate 76.42
    1-bromopropane 1214.89
    gamma-valerolactone 1824.49
    n-decanol 56.6
    triethyl phosphate 197.31
    4-methyl-2-pentanol 163.89
    propionitrile 1073.84
    vinylene carbonate 805.73
    1,1,2-trichlorotrifluoroethane 1306.75
    DMS 478.51
    cumene 114.13
    2-octanol 63.65
    2-hexanone 694.61
    octyl acetate 147.62
    limonene 135.63
    1,2-dimethoxyethane 1562.61
    ethyl orthosilicate 184.8
    tributyl phosphate 129.14
    diacetone alcohol 664.16
    N,N-dimethylaniline 276.94
    acrylonitrile 1290.56
    aniline 656.75
    1,3-propanediol 725.05
    bromobenzene 908.51
    dibromomethane 2862.89
    1,1,2,2-tetrachloroethane 3573.11
    2-methyl-cyclohexyl acetate 301.3
    tetrabutyl urea 157.27
    diisobutyl methanol 90.92
    2-phenylethanol 328.16
    styrene 342.65
    dioctyl adipate 220.82
    dimethyl sulfate 563.06
    ethyl butyrate 527.31
    methyl lactate 352.04
    butyl lactate 253.05
    diethyl carbonate 376.51
    propanediol butyl ether 278.29
    triethyl orthoformate 297.04
    p-tert-butyltoluene 85.01
    methyl 4-tert-butylbenzoate 292.55
    morpholine 2637.49
    tert-butylamine 352.14
    n-dodecanol 42.59
    dimethoxymethane 1272.74
    ethylene carbonate 728.47
    cyrene 318.45
    2-ethoxyethyl acetate 660.41
    2-ethylhexyl acetate 448.69
    1,2,4-trichlorobenzene 810.39
    4-methylpyridine 1425.84
    dibutyl ether 207.83
    2,6-dimethyl-4-heptanol 90.92
    DEF 1288.12
    dimethyl isosorbide 593.93
    tetrachloroethylene 1934.59
    eugenol 304.49
    triacetin 466.73
    span 80 264.86
    1,4-butanediol 255.31
    1,1-dichloroethane 2411.16
    2-methyl-1-pentanol 403.59
    methyl formate 703.95
    2-methyl-1-butanol 483.54
    n-decane 8.2
    butyronitrile 999.49
    3,7-dimethyl-1-octanol 115.85
    1-chlorooctane 72.11
    1-chlorotetradecane 26.26
    n-nonane 7.07
    undecane 6.07
    tert-butylcyclohexane 22.75
    cyclooctane 10.77
    cyclopentanol 442.96
    tetrahydropyran 1852.57
    tert-amyl methyl ether 473.9
    2,5,8-trioxanonane 760.29
    1-hexene 142.16
    2-isopropoxyethanol 634.53
    2,2,2-trifluoroethanol 330.73
    methyl butyrate 1138.66

    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

Botanical

Name CAS Botanical Proportion
Anise (Colombia) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.01%