Propan-2-yl 4-methoxybenzoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6938-38-1

    Molecular formula
    C11H14O3

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

  • Odor profile

    Fragrance
    Sweet 77.23%
    Fruity 72.78%
    Floral 72.67%
    Herbal 59.25%
    Anisic 46.65%
    Balsamic 41.19%
    Cherry 38.45%
    Spicy 36.76%
    Powdery 35.13%
    Vanilla 33.55%

     

    Flavor
    Sweet 75.52%
    Fruity 74.85%
    Floral 54.57%
    Herbal 43.71%
    Bitter 42.53%
    Balsam 39.88%
    Grape 37.75%
    Powdery 35.35%
    Berry 32.17%
    Wintergreen 29.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.99 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 108.14 ˚C est.

  • Synonyms

    • propan-2-yl 4-methoxybenzoate
    • 6938-38-1
    • 4-methoxy-benzoic acid isopropyl ester
    • Isopropyl 4-methoxybenzoate #
    • SCHEMBL5106640
    • DTXSID20989166
    • UVCWQNZMIZWZOH-UHFFFAOYSA-N
    • NSC53954
    • NSC-53954
    • AKOS008947941
    • 4-Methoxybenzoic acid, isopropyl ester

  • Applications

    Propan-2-yl 4-methoxybenzoate finds primary use as a fragrance ingredient in perfumery and cosmetics, contributing aroma and sometimes acting as a fixative. It is often evaluated for use in household products such as air fresheners and cleaning formulations, imparting scent and formulation stability. In the coatings and inks sector, it can serve as a specialty fragrance-related additive or solvent component. In industrial manufacturing, it acts as an intermediate for fragrance synthesis and related formulation development. Its use is subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 239.45
    methanol 272.33
    isopropanol 206.27
    water 0.42
    ethyl acetate 428.25
    n-propanol 190.25
    acetone 880.07
    n-butanol 199.39
    acetonitrile 634.15
    DMF 1072.05
    toluene 160.78
    isobutanol 159.06
    1,4-dioxane 545.02
    methyl acetate 445.16
    THF 763.21
    2-butanone 492.32
    n-pentanol 175.84
    sec-butanol 216.23
    n-hexane 42.61
    ethylene glycol 70.51
    NMP 963.67
    cyclohexane 46.69
    DMSO 1331.03
    n-butyl acetate 336.82
    n-octanol 105.12
    chloroform 1553.39
    n-propyl acetate 301.17
    acetic acid 653.99
    dichloromethane 1566.6
    cyclohexanone 659.98
    propylene glycol 117.39
    isopropyl acetate 228.9
    DMAc 846.49
    2-ethoxyethanol 314.33
    isopentanol 195.23
    n-heptane 14.51
    ethyl formate 279.21
    1,2-dichloroethane 970.92
    n-hexanol 160.04
    2-methoxyethanol 441.83
    isobutyl acetate 166.69
    tetrachloromethane 138.67
    n-pentyl acetate 173.03
    transcutol 1199.44
    n-heptanol 74.95
    ethylbenzene 129.6
    MIBK 218.8
    2-propoxyethanol 294.16
    tert-butanol 361.34
    MTBE 305.59
    2-butoxyethanol 156.36
    propionic acid 347.9
    o-xylene 134.02
    formic acid 194.4
    diethyl ether 338.01
    m-xylene 137.31
    p-xylene 164.58
    chlorobenzene 394.08
    dimethyl carbonate 219.05
    n-octane 8.21
    formamide 385.88
    cyclopentanone 810.55
    2-pentanone 390.33
    anisole 302.32
    cyclopentyl methyl ether 343.32
    gamma-butyrolactone 1016.06
    1-methoxy-2-propanol 353.71
    pyridine 479.73
    3-pentanone 322.75
    furfural 764.39
    n-dodecane 8.41
    diethylene glycol 256.39
    diisopropyl ether 92.99
    tert-amyl alcohol 306.89
    acetylacetone 510.47
    n-hexadecane 10.06
    acetophenone 316.51
    methyl propionate 369.62
    isopentyl acetate 266.26
    trichloroethylene 1852.26
    n-nonanol 89.93
    cyclohexanol 246.61
    benzyl alcohol 229.64
    2-ethylhexanol 116.11
    isooctanol 65.87
    dipropyl ether 135.81
    1,2-dichlorobenzene 389.29
    ethyl lactate 161.45
    propylene carbonate 526.32
    n-methylformamide 429.61
    2-pentanol 163.35
    n-pentane 25.74
    1-propoxy-2-propanol 220.04
    1-methoxy-2-propyl acetate 297.28
    2-(2-methoxypropoxy) propanol 256.71
    mesitylene 86.64
    ε-caprolactone 555.41
    p-cymene 75.11
    epichlorohydrin 976.96
    1,1,1-trichloroethane 729.89
    2-aminoethanol 135.42
    morpholine-4-carbaldehyde 728.23
    sulfolane 1220.95
    2,2,4-trimethylpentane 21.72
    2-methyltetrahydrofuran 520.67
    n-hexyl acetate 273.27
    isooctane 13.43
    2-(2-butoxyethoxy)ethanol 313.48
    sec-butyl acetate 182.72
    tert-butyl acetate 278.17
    decalin 34.45
    glycerin 188.87
    diglyme 595.17
    acrylic acid 374.79
    isopropyl myristate 102.18
    n-butyric acid 392.08
    acetyl acetate 333.28
    di(2-ethylhexyl) phthalate 104.78
    ethyl propionate 263.21
    nitromethane 1264.31
    1,2-diethoxyethane 326.55
    benzonitrile 326.35
    trioctyl phosphate 75.59
    1-bromopropane 400.49
    gamma-valerolactone 807.27
    n-decanol 65.55
    triethyl phosphate 134.44
    4-methyl-2-pentanol 93.82
    propionitrile 322.32
    vinylene carbonate 495.63
    1,1,2-trichlorotrifluoroethane 663.02
    DMS 297.9
    cumene 91.16
    2-octanol 67.04
    2-hexanone 305.41
    octyl acetate 131.81
    limonene 106.4
    1,2-dimethoxyethane 529.04
    ethyl orthosilicate 119.89
    tributyl phosphate 113.3
    diacetone alcohol 306.08
    N,N-dimethylaniline 205.67
    acrylonitrile 476.93
    aniline 262.62
    1,3-propanediol 206.14
    bromobenzene 436.41
    dibromomethane 972.4
    1,1,2,2-tetrachloroethane 1384.78
    2-methyl-cyclohexyl acetate 194.19
    tetrabutyl urea 138.98
    diisobutyl methanol 67.14
    2-phenylethanol 196.14
    styrene 172.41
    dioctyl adipate 171.57
    dimethyl sulfate 423.8
    ethyl butyrate 231.41
    methyl lactate 207.79
    butyl lactate 156.3
    diethyl carbonate 189.96
    propanediol butyl ether 210.92
    triethyl orthoformate 158.09
    p-tert-butyltoluene 71.95
    methyl 4-tert-butylbenzoate 223.06
    morpholine 604.67
    tert-butylamine 213.28
    n-dodecanol 50.97
    dimethoxymethane 445.16
    ethylene carbonate 388.02
    cyrene 265.97
    2-ethoxyethyl acetate 265.03
    2-ethylhexyl acetate 209.0
    1,2,4-trichlorobenzene 455.28
    4-methylpyridine 515.46
    dibutyl ether 153.76
    2,6-dimethyl-4-heptanol 67.14
    DEF 453.76
    dimethyl isosorbide 387.41
    tetrachloroethylene 732.98
    eugenol 212.71
    triacetin 312.97
    span 80 191.38
    1,4-butanediol 100.5
    1,1-dichloroethane 822.79
    2-methyl-1-pentanol 184.95
    methyl formate 377.65
    2-methyl-1-butanol 196.54
    n-decane 14.34
    butyronitrile 310.27
    3,7-dimethyl-1-octanol 109.7
    1-chlorooctane 83.62
    1-chlorotetradecane 33.19
    n-nonane 13.8
    undecane 10.54
    tert-butylcyclohexane 31.25
    cyclooctane 14.98
    cyclopentanol 246.5
    tetrahydropyran 464.46
    tert-amyl methyl ether 238.09
    2,5,8-trioxanonane 401.89
    1-hexene 148.11
    2-isopropoxyethanol 227.7
    2,2,2-trifluoroethanol 250.4
    methyl butyrate 359.19

    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