Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-

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  • Identifiers

    CAS number
    56107-04-1

    Molecular formula
    C14H22O

    SMILES
    CC(CC1=CC=C(C=C1)C(C)(C)C)CO

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 83.2%
    Green 62.58%
    Lily 46.26%
    Woody 45.51%
    Muguet 44.98%
    Rose 40.07%
    Fresh 35.05%
    Herbal 30.35%
    Citrus 29.5%
    Spicy 29.16%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point est.
    132.0 ˚C

  • Synonyms

    • 56107-04-1
    • 3-(4-tert-butylphenyl)-2-methylpropan-1-ol
    • 3-(p-tert-Butylphenyl)-2-methylpropanol
    • 3-(4-(tert-butyl)phenyl)-2-methylpropan-1-ol
    • Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
    • 3-(4-tert-Butylphenyl)-2-methylpropyl alcohol
    • EINECS 259-996-2
    • Benzenepropanol, 4-(1,1-dimethylethyl)-.beta.-methyl-
    • DTXSID30866535
    • 3-(4-tert-Butyl-phenyl)-2-methyl-propan-1-ol
    • EC 259-996-2
    • MFCD00458910
    • NSC 20782
    • NSC20782
    • 3-(4-tert-Butylphenyl)-2-methyl-propan-1-ol
    • SCHEMBL444104
    • para-tert-butyl phenyl isobutanol
    • DTXCID70814813
    • P-TERT-BUTYLPHENYLISOBUTANOL
    • GCA10704
    • BBL013130
    • NSC-20782
    • STK399921
    • AKOS000308092
    • 2-methyl-3-(4-tert-butylphenyl)propanol
    • VS-03685
    • 3-(p-tert.butyl-phenyl)-2-methyl-propanol
    • 3-p-tertiary butylphenyl-2-methyl-propanol
    • DB-098936
    • CS-0275858
    • NS00006603
    • 3-(p-tert.-butylphenyl)-2-methyl-1-propanol
    • EN300-228225
    • G73061
    • Benzenepropanol,1-dimethylethyl)-.beta.-methyl-
    • 259-996-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1680.36
    methanol 925.65
    isopropanol 1352.59
    water 0.25
    ethyl acetate 1630.55
    n-propanol 1252.87
    acetone 1230.92
    n-butanol 1279.28
    acetonitrile 830.37
    DMF 964.99
    toluene 364.73
    isobutanol 838.34
    1,4-dioxane 1794.41
    methyl acetate 1082.16
    THF 2253.92
    2-butanone 1107.43
    n-pentanol 712.04
    sec-butanol 803.74
    n-hexane 227.59
    ethylene glycol 116.58
    NMP 375.7
    cyclohexane 169.21
    DMSO 441.22
    n-butyl acetate 1399.09
    n-octanol 326.16
    chloroform 1290.25
    n-propyl acetate 829.01
    acetic acid 447.11
    dichloromethane 1011.53
    cyclohexanone 915.46
    propylene glycol 305.34
    isopropyl acetate 1005.84
    DMAc 696.75
    2-ethoxyethanol 987.5
    isopentanol 991.6
    n-heptane 181.07
    ethyl formate 624.45
    1,2-dichloroethane 818.71
    n-hexanol 1463.62
    2-methoxyethanol 1604.1
    isobutyl acetate 577.11
    tetrachloromethane 200.4
    n-pentyl acetate 398.93
    transcutol 2460.02
    n-heptanol 402.58
    ethylbenzene 225.26
    MIBK 712.14
    2-propoxyethanol 1855.81
    tert-butanol 1691.48
    MTBE 1995.3
    2-butoxyethanol 666.73
    propionic acid 468.96
    o-xylene 205.47
    formic acid 87.97
    diethyl ether 1958.41
    m-xylene 299.71
    p-xylene 265.99
    chlorobenzene 372.5
    dimethyl carbonate 259.95
    n-octane 61.5
    formamide 181.0
    cyclopentanone 1006.3
    2-pentanone 1182.51
    anisole 518.99
    cyclopentyl methyl ether 957.2
    gamma-butyrolactone 870.56
    1-methoxy-2-propanol 1367.69
    pyridine 673.36
    3-pentanone 707.01
    furfural 614.75
    n-dodecane 38.61
    diethylene glycol 807.47
    diisopropyl ether 631.86
    tert-amyl alcohol 900.93
    acetylacetone 834.41
    n-hexadecane 42.94
    acetophenone 349.4
    methyl propionate 941.52
    isopentyl acetate 1164.53
    trichloroethylene 1175.66
    n-nonanol 280.9
    cyclohexanol 552.36
    benzyl alcohol 321.86
    2-ethylhexanol 716.17
    isooctanol 335.14
    dipropyl ether 1282.49
    1,2-dichlorobenzene 312.12
    ethyl lactate 295.28
    propylene carbonate 570.34
    n-methylformamide 476.62
    2-pentanol 853.58
    n-pentane 177.33
    1-propoxy-2-propanol 1425.26
    1-methoxy-2-propyl acetate 1165.24
    2-(2-methoxypropoxy) propanol 484.08
    mesitylene 198.49
    ε-caprolactone 763.44
    p-cymene 197.49
    epichlorohydrin 1275.84
    1,1,1-trichloroethane 781.22
    2-aminoethanol 425.22
    morpholine-4-carbaldehyde 920.33
    sulfolane 549.68
    2,2,4-trimethylpentane 86.43
    2-methyltetrahydrofuran 1401.1
    n-hexyl acetate 553.52
    isooctane 105.45
    2-(2-butoxyethoxy)ethanol 767.36
    sec-butyl acetate 578.56
    tert-butyl acetate 1102.7
    decalin 91.43
    glycerin 283.62
    diglyme 1311.34
    acrylic acid 237.41
    isopropyl myristate 238.39
    n-butyric acid 1040.37
    acetyl acetate 554.4
    di(2-ethylhexyl) phthalate 169.65
    ethyl propionate 680.12
    nitromethane 691.81
    1,2-diethoxyethane 1313.32
    benzonitrile 352.19
    trioctyl phosphate 143.47
    1-bromopropane 786.37
    gamma-valerolactone 1304.94
    n-decanol 218.21
    triethyl phosphate 223.25
    4-methyl-2-pentanol 519.42
    propionitrile 830.58
    vinylene carbonate 452.41
    1,1,2-trichlorotrifluoroethane 576.73
    DMS 335.25
    cumene 178.13
    2-octanol 223.9
    2-hexanone 697.42
    octyl acetate 280.28
    limonene 324.12
    1,2-dimethoxyethane 1508.49
    ethyl orthosilicate 265.87
    tributyl phosphate 189.15
    diacetone alcohol 869.03
    N,N-dimethylaniline 309.1
    acrylonitrile 624.27
    aniline 432.99
    1,3-propanediol 715.84
    bromobenzene 397.05
    dibromomethane 792.49
    1,1,2,2-tetrachloroethane 958.77
    2-methyl-cyclohexyl acetate 475.31
    tetrabutyl urea 200.78
    diisobutyl methanol 379.84
    2-phenylethanol 486.07
    styrene 252.28
    dioctyl adipate 289.7
    dimethyl sulfate 227.25
    ethyl butyrate 904.88
    methyl lactate 322.74
    butyl lactate 297.39
    diethyl carbonate 449.41
    propanediol butyl ether 455.98
    triethyl orthoformate 535.15
    p-tert-butyltoluene 224.27
    methyl 4-tert-butylbenzoate 327.35
    morpholine 2133.29
    tert-butylamine 1260.36
    n-dodecanol 174.71
    dimethoxymethane 1147.35
    ethylene carbonate 443.97
    cyrene 311.5
    2-ethoxyethyl acetate 598.58
    2-ethylhexyl acetate 848.09
    1,2,4-trichlorobenzene 328.22
    4-methylpyridine 755.86
    dibutyl ether 580.72
    2,6-dimethyl-4-heptanol 379.84
    DEF 868.43
    dimethyl isosorbide 699.98
    tetrachloroethylene 540.96
    eugenol 304.92
    triacetin 392.26
    span 80 415.11
    1,4-butanediol 253.09
    1,1-dichloroethane 1056.44
    2-methyl-1-pentanol 547.22
    methyl formate 320.77
    2-methyl-1-butanol 728.1
    n-decane 71.92
    butyronitrile 1090.62
    3,7-dimethyl-1-octanol 370.58
    1-chlorooctane 242.73
    1-chlorotetradecane 93.32
    n-nonane 75.85
    undecane 50.7
    tert-butylcyclohexane 122.36
    cyclooctane 70.37
    cyclopentanol 500.88
    tetrahydropyran 1817.01
    tert-amyl methyl ether 951.92
    2,5,8-trioxanonane 749.17
    1-hexene 701.06
    2-isopropoxyethanol 704.21
    2,2,2-trifluoroethanol 110.34
    methyl butyrate 798.42

    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