Butylphenyl methylpropional, (-)-

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  • Identifiers

    CAS number
    75166-31-3

    Molecular formula
    C14H20O

    SMILES
    C[C@H](CC1=CC=C(C=C1)C(C)(C)C)C=O

  • Odor profile

    Floral 92.1%
    Green 76.41%
    Fresh 65.84%
    Lily 64.65%
    Muguet 62.39%
    Aldehydic 59.87%
    Ozone 47.64%
    Sweet 38.07%
    Melon 37.19%
    Woody 37.0%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point est.
    123.44 ˚C

  • Synonyms

    • Butylphenyl methylpropional, (-)-
    • UNII-14X71K3AMT
    • 14X71K3AMT
    • 75166-31-3
    • (R)-butylphenyl methylpropional
    • SCHEMBL13453994
    • DTXSID30226155
    • BUTYLPHENYL METHYLPROPIONAL, (R)-
    • NS00134586
    • (-)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL
    • (R)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL
    • Q27251655
    • BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-, (R)-
    • BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-, (.ALPHA.R)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 931.03
    methanol 658.72
    isopropanol 656.2
    water 0.25
    ethyl acetate 1435.5
    n-propanol 682.5
    acetone 918.07
    n-butanol 696.5
    acetonitrile 752.02
    DMF 956.9
    toluene 461.27
    isobutanol 447.89
    1,4-dioxane 1366.21
    methyl acetate 999.42
    THF 1569.56
    2-butanone 914.9
    n-pentanol 453.6
    sec-butanol 452.06
    n-hexane 201.78
    ethylene glycol 75.62
    NMP 505.54
    cyclohexane 140.06
    DMSO 328.62
    n-butyl acetate 1145.35
    n-octanol 203.5
    chloroform 1706.78
    n-propyl acetate 709.97
    acetic acid 336.07
    dichloromethane 1432.31
    cyclohexanone 941.83
    propylene glycol 185.79
    isopropyl acetate 864.53
    DMAc 781.05
    2-ethoxyethanol 612.36
    isopentanol 579.84
    n-heptane 113.96
    ethyl formate 537.19
    1,2-dichloroethane 1061.13
    n-hexanol 856.5
    2-methoxyethanol 932.02
    isobutyl acetate 519.39
    tetrachloromethane 219.62
    n-pentyl acetate 331.61
    transcutol 1978.46
    n-heptanol 238.01
    ethylbenzene 311.56
    MIBK 575.86
    2-propoxyethanol 1227.09
    tert-butanol 808.76
    MTBE 1144.8
    2-butoxyethanol 420.05
    propionic acid 372.59
    o-xylene 272.99
    formic acid 87.99
    diethyl ether 1327.1
    m-xylene 357.71
    p-xylene 351.79
    chlorobenzene 528.1
    dimethyl carbonate 285.93
    n-octane 44.59
    formamide 178.6
    cyclopentanone 954.49
    2-pentanone 932.25
    anisole 593.63
    cyclopentyl methyl ether 778.16
    gamma-butyrolactone 909.66
    1-methoxy-2-propanol 867.49
    pyridine 728.43
    3-pentanone 656.23
    furfural 721.2
    n-dodecane 27.51
    diethylene glycol 569.11
    diisopropyl ether 427.57
    tert-amyl alcohol 514.27
    acetylacetone 815.23
    n-hexadecane 31.4
    acetophenone 433.51
    methyl propionate 881.73
    isopentyl acetate 948.0
    trichloroethylene 1638.42
    n-nonanol 183.05
    cyclohexanol 412.38
    benzyl alcohol 357.3
    2-ethylhexanol 458.64
    isooctanol 207.4
    dipropyl ether 782.16
    1,2-dichlorobenzene 460.79
    ethyl lactate 269.36
    propylene carbonate 620.74
    n-methylformamide 438.71
    2-pentanol 480.72
    n-pentane 124.54
    1-propoxy-2-propanol 936.99
    1-methoxy-2-propyl acetate 1014.16
    2-(2-methoxypropoxy) propanol 411.89
    mesitylene 224.95
    ε-caprolactone 839.97
    p-cymene 202.7
    epichlorohydrin 1271.33
    1,1,1-trichloroethane 1015.38
    2-aminoethanol 247.56
    morpholine-4-carbaldehyde 967.55
    sulfolane 649.17
    2,2,4-trimethylpentane 61.98
    2-methyltetrahydrofuran 1069.27
    n-hexyl acetate 463.08
    isooctane 68.93
    2-(2-butoxyethoxy)ethanol 585.99
    sec-butyl acetate 557.22
    tert-butyl acetate 890.03
    decalin 95.37
    glycerin 184.38
    diglyme 1042.93
    acrylic acid 228.16
    isopropyl myristate 213.09
    n-butyric acid 737.35
    acetyl acetate 585.62
    di(2-ethylhexyl) phthalate 162.43
    ethyl propionate 642.76
    nitromethane 626.48
    1,2-diethoxyethane 1019.08
    benzonitrile 438.96
    trioctyl phosphate 118.51
    1-bromopropane 769.4
    gamma-valerolactone 1267.75
    n-decanol 144.76
    triethyl phosphate 229.79
    4-methyl-2-pentanol 335.72
    propionitrile 674.55
    vinylene carbonate 534.0
    1,1,2-trichlorotrifluoroethane 605.89
    DMS 414.16
    cumene 221.01
    2-octanol 144.0
    2-hexanone 619.5
    octyl acetate 239.32
    limonene 294.79
    1,2-dimethoxyethane 1055.37
    ethyl orthosilicate 254.14
    tributyl phosphate 175.1
    diacetone alcohol 690.79
    N,N-dimethylaniline 374.61
    acrylonitrile 603.71
    aniline 448.82
    1,3-propanediol 388.95
    bromobenzene 578.35
    dibromomethane 991.75
    1,1,2,2-tetrachloroethane 1282.89
    2-methyl-cyclohexyl acetate 433.42
    tetrabutyl urea 189.99
    diisobutyl methanol 256.6
    2-phenylethanol 476.06
    styrene 352.22
    dioctyl adipate 275.65
    dimethyl sulfate 277.63
    ethyl butyrate 760.08
    methyl lactate 295.51
    butyl lactate 260.65
    diethyl carbonate 432.95
    propanediol butyl ether 313.18
    triethyl orthoformate 430.23
    p-tert-butyltoluene 213.3
    methyl 4-tert-butylbenzoate 337.55
    morpholine 1492.18
    tert-butylamine 592.94
    n-dodecanol 116.39
    dimethoxymethane 876.94
    ethylene carbonate 484.44
    cyrene 310.72
    2-ethoxyethyl acetate 544.98
    2-ethylhexyl acetate 721.57
    1,2,4-trichlorobenzene 488.12
    4-methylpyridine 887.09
    dibutyl ether 425.81
    2,6-dimethyl-4-heptanol 256.6
    DEF 858.37
    dimethyl isosorbide 700.76
    tetrachloroethylene 700.28
    eugenol 314.1
    triacetin 388.84
    span 80 327.99
    1,4-butanediol 166.1
    1,1-dichloroethane 1203.73
    2-methyl-1-pentanol 398.37
    methyl formate 313.18
    2-methyl-1-butanol 447.76
    n-decane 50.65
    butyronitrile 817.89
    3,7-dimethyl-1-octanol 267.69
    1-chlorooctane 204.13
    1-chlorotetradecane 79.4
    n-nonane 52.44
    undecane 35.7
    tert-butylcyclohexane 109.58
    cyclooctane 58.73
    cyclopentanol 351.57
    tetrahydropyran 1331.5
    tert-amyl methyl ether 661.76
    2,5,8-trioxanonane 647.6
    1-hexene 592.74
    2-isopropoxyethanol 495.6
    2,2,2-trifluoroethanol 106.66
    methyl butyrate 743.85

    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