Dimethyl phenylpropanol

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  • Identifiers

    CAS number
    13351-61-6

    Molecular formula
    C11H16O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 92.0%
    Lily 53.27%
    Green 52.88%
    Woody 52.07%
    Muguet 48.74%
    Rose 46.16%
    Fresh 34.04%
    Grapefruit 30.35%
    Earthy 27.32%
    Tropical 26.79%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.92 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point est.
    112.19 ˚C

  • Synonyms

    • 13351-61-6
    • Dimethyl Phenylpropanol
    • 2,2-dimethyl-3-phenylpropan-1-ol
    • 2,2-Dimethyl-3-phenyl-1-propanol
    • 2,2-Dimethyl-3-phenylpropanol
    • Muguet alcohol
    • Benzenepropanol, beta,beta-dimethyl-
    • Benzenepropanol, .beta.,.beta.-dimethyl-
    • B5Q8EY2901
    • EINECS 236-400-9
    • AI3-28141
    • DEOLITE 605456
    • DTXSID30158149
    • .BETA.,.BETA.-DIMETHYLBENZENEPROPANOL
    • 2,2-DIMETHYL-3-PHENYLPROPYL ALCOHOL
    • 1-PROPANOL, 2,2-DIMETHYL-3-PHENYL-
    • DIMETHYL BENZENEPROPANOL
    • UNII-B5Q8EY2901
    • SCHEMBL113690
    • DTXCID2080640
    • 2,2-dimethyl-3-phenyl-propanol
    • DIMETHYL PHENYLPROPANOL [INCI]
    • AKOS014313089
    • BETA,BETA-DIMETHYLBENZENEPROPANOL
    • DB-260235
    • CS-0239674
    • NS00012330
    • EN300-217503
    • Q27274404
    • F8884-1429
    • 236-400-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 677.86
    methanol 396.74
    isopropanol 616.81
    water 1.09
    ethyl acetate 479.96
    n-propanol 613.85
    acetone 520.93
    n-butanol 614.46
    acetonitrile 451.41
    DMF 438.48
    toluene 168.64
    isobutanol 477.01
    1,4-dioxane 560.53
    methyl acetate 418.24
    THF 833.29
    2-butanone 509.18
    n-pentanol 359.42
    sec-butanol 487.47
    n-hexane 63.12
    ethylene glycol 137.24
    NMP 265.36
    cyclohexane 63.03
    DMSO 364.3
    n-butyl acetate 661.73
    n-octanol 224.03
    chloroform 841.75
    n-propyl acetate 355.48
    acetic acid 379.12
    dichloromethane 669.99
    cyclohexanone 500.71
    propylene glycol 284.31
    isopropyl acetate 303.35
    DMAc 307.08
    2-ethoxyethanol 428.69
    isopentanol 516.64
    n-heptane 101.29
    ethyl formate 379.74
    1,2-dichloroethane 412.38
    n-hexanol 726.84
    2-methoxyethanol 654.02
    isobutyl acetate 259.12
    tetrachloromethane 113.22
    n-pentyl acetate 194.97
    transcutol 1037.24
    n-heptanol 262.82
    ethylbenzene 129.3
    MIBK 320.95
    2-propoxyethanol 764.34
    tert-butanol 746.69
    MTBE 504.17
    2-butoxyethanol 389.5
    propionic acid 383.29
    o-xylene 126.54
    formic acid 109.31
    diethyl ether 446.46
    m-xylene 162.42
    p-xylene 144.03
    chlorobenzene 202.24
    dimethyl carbonate 123.2
    n-octane 30.18
    formamide 157.7
    cyclopentanone 576.58
    2-pentanone 494.7
    anisole 288.22
    cyclopentyl methyl ether 403.41
    gamma-butyrolactone 558.41
    1-methoxy-2-propanol 586.4
    pyridine 356.89
    3-pentanone 291.55
    furfural 459.41
    n-dodecane 21.42
    diethylene glycol 411.67
    diisopropyl ether 159.27
    tert-amyl alcohol 491.48
    acetylacetone 340.06
    n-hexadecane 22.74
    acetophenone 229.9
    methyl propionate 352.2
    isopentyl acetate 525.2
    trichloroethylene 752.62
    n-nonanol 182.4
    cyclohexanol 332.3
    benzyl alcohol 211.69
    2-ethylhexanol 428.25
    isooctanol 213.75
    dipropyl ether 495.81
    1,2-dichlorobenzene 185.65
    ethyl lactate 193.63
    propylene carbonate 377.31
    n-methylformamide 302.63
    2-pentanol 434.85
    n-pentane 59.67
    1-propoxy-2-propanol 677.88
    1-methoxy-2-propyl acetate 448.21
    2-(2-methoxypropoxy) propanol 310.41
    mesitylene 110.45
    ε-caprolactone 396.23
    p-cymene 140.11
    epichlorohydrin 694.87
    1,1,1-trichloroethane 382.55
    2-aminoethanol 335.97
    morpholine-4-carbaldehyde 434.28
    sulfolane 462.22
    2,2,4-trimethylpentane 46.04
    2-methyltetrahydrofuran 598.87
    n-hexyl acetate 291.48
    isooctane 50.92
    2-(2-butoxyethoxy)ethanol 424.94
    sec-butyl acetate 239.36
    tert-butyl acetate 343.94
    decalin 46.2
    glycerin 305.47
    diglyme 664.02
    acrylic acid 255.44
    isopropyl myristate 126.48
    n-butyric acid 600.55
    acetyl acetate 207.93
    di(2-ethylhexyl) phthalate 123.46
    ethyl propionate 285.29
    nitromethane 484.93
    1,2-diethoxyethane 405.16
    benzonitrile 249.18
    trioctyl phosphate 105.04
    1-bromopropane 328.42
    gamma-valerolactone 632.54
    n-decanol 145.88
    triethyl phosphate 136.48
    4-methyl-2-pentanol 274.92
    propionitrile 449.81
    vinylene carbonate 313.08
    1,1,2-trichlorotrifluoroethane 436.01
    DMS 154.23
    cumene 112.61
    2-octanol 147.14
    2-hexanone 349.01
    octyl acetate 153.64
    limonene 201.09
    1,2-dimethoxyethane 580.92
    ethyl orthosilicate 146.42
    tributyl phosphate 124.86
    diacetone alcohol 429.58
    N,N-dimethylaniline 196.96
    acrylonitrile 412.48
    aniline 216.19
    1,3-propanediol 416.16
    bromobenzene 198.68
    dibromomethane 478.38
    1,1,2,2-tetrachloroethane 573.59
    2-methyl-cyclohexyl acetate 288.49
    tetrabutyl urea 147.98
    diisobutyl methanol 240.04
    2-phenylethanol 265.12
    styrene 135.55
    dioctyl adipate 178.92
    dimethyl sulfate 157.04
    ethyl butyrate 421.98
    methyl lactate 202.56
    butyl lactate 204.66
    diethyl carbonate 232.98
    propanediol butyl ether 338.69
    triethyl orthoformate 251.58
    p-tert-butyltoluene 145.9
    methyl 4-tert-butylbenzoate 243.02
    morpholine 698.0
    tert-butylamine 522.81
    n-dodecanol 117.76
    dimethoxymethane 377.19
    ethylene carbonate 280.74
    cyrene 256.3
    2-ethoxyethyl acetate 242.83
    2-ethylhexyl acetate 371.91
    1,2,4-trichlorobenzene 211.12
    4-methylpyridine 346.01
    dibutyl ether 220.18
    2,6-dimethyl-4-heptanol 240.04
    DEF 352.53
    dimethyl isosorbide 438.16
    tetrachloroethylene 326.56
    eugenol 230.15
    triacetin 241.18
    span 80 284.28
    1,4-butanediol 178.82
    1,1-dichloroethane 517.29
    2-methyl-1-pentanol 308.43
    methyl formate 232.73
    2-methyl-1-butanol 424.57
    n-decane 36.1
    butyronitrile 573.58
    3,7-dimethyl-1-octanol 243.19
    1-chlorooctane 135.63
    1-chlorotetradecane 52.33
    n-nonane 38.24
    undecane 26.61
    tert-butylcyclohexane 58.6
    cyclooctane 32.01
    cyclopentanol 324.17
    tetrahydropyran 591.96
    tert-amyl methyl ether 342.48
    2,5,8-trioxanonane 433.14
    1-hexene 228.8
    2-isopropoxyethanol 338.18
    2,2,2-trifluoroethanol 109.88
    methyl butyrate 380.94

    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