Benzenepropanol, 4-methoxy-alpha-methyl-

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  • Identifiers

    CAS number
    67952-38-9

    Molecular formula
    C11H16O2

    SMILES
    CC(CCC1=CC=C(C=C1)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 85.43%
    Sweet 74.51%
    Fruity 48.53%
    Balsamic 41.37%
    Rose 41.03%
    Anisic 39.19%
    Spicy 37.89%
    Powdery 33.97%
    Vanilla 33.79%
    Herbal 32.47%

     

    Flavor
    Sweet 83.29%
    Floral 60.87%
    Spicy 50.15%
    Balsam 45.5%
    Green 44.94%
    Hyacinth 40.17%
    Rose 38.88%
    Fruity 35.02%
    Honey 33.63%
    Fresh 33.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.05 (weak base)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 118.98 ˚C est.

  • Synonyms

    • Benzenepropanol, 4-methoxy-.alpha.-methyl-
    • 4-(p-Methoxyphenyl)butan-2-ol
    • EINECS 267-891-8
    • Benzenepropanol, 4-methoxy-alpha-methyl-
    • DTXSID20887052
    • NSC 406751
    • RefChem:563658
    • DTXCID101026367
    • 267-891-8
    • 4-(4-methoxyphenyl)butan-2-ol
    • 67952-38-9
    • 4-(p-Methoxyphenyl)-2-butanol
    • Dobutamine Impurity 6
    • 4-(4-methoxy-phenyl)-butan-2-ol
    • MFCD08442945
    • NSC406751
    • SCHEMBL2238188
    • 4-(4-Methoxyphenyl)-2-butanol #
    • AKOS000126154
    • 4-Methoxy-OE+/--methylbenzenepropanol
    • NSC-406751
    • AS-59659
    • 1-(4-Methoxyphenyl)-3-methyl-3-propanol
    • NS00055528
    • D93078
    • EN300-1868169
    • 67952-38-9

  • Applications

    Benzenepropanol, 4-methoxy-alpha-methyl- (CAS 67952-38-9) is commonly used as a fragrance ingredient and odorant in perfumery and personal care products; it also serves as an intermediate in the synthesis of other fragrance and pharmaceutical compounds; it may be used as an aroma precursor in flavor applications; in household cleaning and air-freshening products it functions as a scent additive; in industrial manufacturing it acts as a building block for the synthesis of other aromatic compounds; collectively, it is a specialty aromatic alcohol used for fragrance and chemical synthesis applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2755.09
    methanol 2660.4
    isopropanol 1656.07
    water 4.4
    ethyl acetate 1427.91
    n-propanol 1559.89
    acetone 826.46
    n-butanol 1236.84
    acetonitrile 942.25
    DMF 482.02
    toluene 143.77
    isobutanol 821.39
    1,4-dioxane 2849.57
    methyl acetate 1093.53
    THF 1202.17
    2-butanone 613.79
    n-pentanol 688.34
    sec-butanol 822.57
    n-hexane 9.55
    ethylene glycol 953.74
    NMP 135.72
    cyclohexane 28.51
    DMSO 1121.54
    n-butyl acetate 365.91
    n-octanol 127.81
    chloroform 939.63
    n-propyl acetate 378.37
    acetic acid 1261.02
    dichloromethane 888.63
    cyclohexanone 511.79
    propylene glycol 1569.3
    isopropyl acetate 440.63
    DMAc 437.38
    2-ethoxyethanol 1667.73
    isopentanol 637.5
    n-heptane 16.67
    ethyl formate 606.68
    1,2-dichloroethane 536.18
    n-hexanol 575.84
    2-methoxyethanol 2813.93
    isobutyl acetate 205.51
    tetrachloromethane 85.82
    n-pentyl acetate 119.63
    transcutol 2252.97
    n-heptanol 144.49
    ethylbenzene 61.58
    MIBK 218.39
    2-propoxyethanol 1158.25
    tert-butanol 1591.85
    MTBE 601.33
    2-butoxyethanol 355.09
    propionic acid 854.83
    o-xylene 82.95
    formic acid 546.79
    diethyl ether 756.73
    m-xylene 95.26
    p-xylene 74.97
    chlorobenzene 174.1
    dimethyl carbonate 189.42
    n-octane 7.58
    formamide 749.88
    cyclopentanone 402.82
    2-pentanone 458.79
    anisole 271.31
    cyclopentyl methyl ether 381.8
    gamma-butyrolactone 612.71
    1-methoxy-2-propanol 1575.27
    pyridine 576.16
    3-pentanone 259.04
    furfural 547.5
    n-dodecane 8.51
    diethylene glycol 1180.43
    diisopropyl ether 109.46
    tert-amyl alcohol 692.21
    acetylacetone 516.46
    n-hexadecane 9.37
    acetophenone 181.56
    methyl propionate 608.2
    isopentyl acetate 277.52
    trichloroethylene 919.97
    n-nonanol 112.7
    cyclohexanol 499.61
    benzyl alcohol 311.99
    2-ethylhexanol 189.75
    isooctanol 99.35
    dipropyl ether 233.06
    1,2-dichlorobenzene 134.4
    ethyl lactate 199.88
    propylene carbonate 335.41
    n-methylformamide 605.73
    2-pentanol 542.27
    n-pentane 12.02
    1-propoxy-2-propanol 598.57
    1-methoxy-2-propyl acetate 446.53
    2-(2-methoxypropoxy) propanol 276.64
    mesitylene 53.33
    ε-caprolactone 507.1
    p-cymene 44.75
    epichlorohydrin 1028.64
    1,1,1-trichloroethane 392.99
    2-aminoethanol 1672.69
    morpholine-4-carbaldehyde 752.49
    sulfolane 397.81
    2,2,4-trimethylpentane 12.13
    2-methyltetrahydrofuran 770.32
    n-hexyl acetate 181.03
    isooctane 11.47
    2-(2-butoxyethoxy)ethanol 484.36
    sec-butyl acetate 211.86
    tert-butyl acetate 351.63
    decalin 15.4
    glycerin 1311.86
    diglyme 902.92
    acrylic acid 556.16
    isopropyl myristate 70.86
    n-butyric acid 1090.06
    acetyl acetate 485.99
    di(2-ethylhexyl) phthalate 77.47
    ethyl propionate 282.47
    nitromethane 1326.14
    1,2-diethoxyethane 583.67
    benzonitrile 228.55
    trioctyl phosphate 54.06
    1-bromopropane 253.04
    gamma-valerolactone 886.5
    n-decanol 88.79
    triethyl phosphate 92.2
    4-methyl-2-pentanol 200.02
    propionitrile 597.4
    vinylene carbonate 344.18
    1,1,2-trichlorotrifluoroethane 703.71
    DMS 188.78
    cumene 46.23
    2-octanol 73.78
    2-hexanone 263.69
    octyl acetate 93.79
    limonene 71.51
    1,2-dimethoxyethane 1350.27
    ethyl orthosilicate 100.28
    tributyl phosphate 71.62
    diacetone alcohol 459.75
    N,N-dimethylaniline 124.15
    acrylonitrile 567.0
    aniline 359.4
    1,3-propanediol 1952.32
    bromobenzene 153.51
    dibromomethane 455.03
    1,1,2,2-tetrachloroethane 677.16
    2-methyl-cyclohexyl acetate 140.38
    tetrabutyl urea 84.52
    diisobutyl methanol 97.5
    2-phenylethanol 262.8
    styrene 84.44
    dioctyl adipate 113.01
    dimethyl sulfate 191.35
    ethyl butyrate 245.35
    methyl lactate 333.66
    butyl lactate 128.71
    diethyl carbonate 167.09
    propanediol butyl ether 358.12
    triethyl orthoformate 160.36
    p-tert-butyltoluene 47.0
    methyl 4-tert-butylbenzoate 139.71
    morpholine 2922.37
    tert-butylamine 649.96
    n-dodecanol 71.82
    dimethoxymethane 834.11
    ethylene carbonate 351.86
    cyrene 198.94
    2-ethoxyethyl acetate 271.67
    2-ethylhexyl acetate 177.2
    1,2,4-trichlorobenzene 165.67
    4-methylpyridine 445.57
    dibutyl ether 146.65
    2,6-dimethyl-4-heptanol 97.5
    DEF 427.28
    dimethyl isosorbide 347.91
    tetrachloroethylene 393.06
    eugenol 166.98
    triacetin 223.8
    span 80 230.72
    1,4-butanediol 689.61
    1,1-dichloroethane 571.06
    2-methyl-1-pentanol 348.91
    methyl formate 454.86
    2-methyl-1-butanol 512.42
    n-decane 13.23
    butyronitrile 603.55
    3,7-dimethyl-1-octanol 118.87
    1-chlorooctane 56.37
    1-chlorotetradecane 25.84
    n-nonane 12.05
    undecane 10.18
    tert-butylcyclohexane 16.25
    cyclooctane 9.83
    cyclopentanol 469.95
    tetrahydropyran 1292.48
    tert-amyl methyl ether 280.4
    2,5,8-trioxanonane 559.41
    1-hexene 73.49
    2-isopropoxyethanol 776.09
    2,2,2-trifluoroethanol 286.1
    methyl butyrate 380.48

    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