Trimethylbenzenepropanol

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  • Identifiers

    CAS number
    103694-68-4

    Molecular formula
    C12H18O

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

  • Odor profile

    Fragrance
    Floral 88.05%
    Green 60.94%
    Woody 52.16%
    Lily 50.63%
    Muguet 47.48%
    Rose 37.66%
    Fresh 32.18%
    Grapefruit 31.86%
    Tropical 29.95%
    Earthy 27.46%

     

    Flavor
    Floral 51.39%
    Sweet 41.26%
    Green 34.35%
    Earthy 28.89%
    Bitter 28.27%
    Herbal 27.96%
    Fruity 27.89%
    Woody 27.89%
    Spicy 26.87%
    Rose 25.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.38 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    264°C

    Flash point

    • 115.25 ˚C est.

  • Synonyms

    • 103694-68-4
    • Majantol
    • 2,2-Dimethyl-3-(m-tolyl)propan-1-ol
    • 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
    • Trimethylbenzenepropanol
    • 2,2-Dimethyl-3-(3-methylphenyl)propanol
    • 3-(2,2-dimethyl-3-hydroxypropyl)toluene
    • Benzenepropanol, beta,beta,3-trimethyl-
    • 7S411YY2VY
    • Benzenepropanol, .beta.,.beta.,3-trimethyl-
    • MFCD03701092
    • 2,2-Dimethyl-3-(3-tolyl)propan-1-ol
    • MAJANTOL 105852
    • DTXSID0051520
    • EC 403-140-4
    • 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL
    • 2,2-dimethyl-3-m-tolylpropan-1-ol
    • UNII-7S411YY2VY
    • ss,ss,3-Trimethylbenzenepropanol; 2,2-Dimethyl-3-(3-methylphenyl)propan-1-ol; 2,2-Dimethyl-3-(3-methylphenyl)propanol; 2,2-Dimethyl-3-(3-tolyl)propan-1-ol; 2,2-Dimethyl-3-m-tolylpropan-1-ol;
    • 2,2-dimethyl-3-(3-methylphenyl)-propanol
    • 2,2-dimethyl-3-(3-methylphenyl)-propan-1-ol
    • SCHEMBL113407
    • DTXCID2030069
    • |A,|A,3-Trimethylbenzenepropanol
    • BCP18632
    • beta,beta,3-Trimethylbenzenepropanol
    • AKOS006280053
    • TRIMETHYLBENZENEPROPANOL [INCI]
    • DS-8015
    • 2,2-Dimethyl-3-(m-tolyl)-1-propanol
    • Majantol 1000 microg/mL in Acetonitrile
    • SY116523
    • CS-0153220
    • NS00002122
    • D71072
    • EN300-1218098
    • Q27268778
    • beta,beta,3-Trimethylbenzenepropanol, reference material
    • F2147-6231
    • Trimethylbenzenepropanol; 2,2-Dimethyl-3-(m-tolyl)propan-1-ol
    • 403-140-4

  • Applications

    Trimethylbenzenepropanol (CAS 103694-68-4) is used primarily as an intermediate and solvent in organic synthesis; in perfumery and cosmetics it serves as a fragrance component and may function as a fragrance fixative in certain formulations. In personal care, it may be present as a fragrance ingredient and solvent in various products. In coatings and inks, it can act as a solvent or processing aid. In polymer and adhesive formulations, it can serve as an intermediate or processing additive. It may also be used in industrial cleaning formulations as a solvent. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 911.77
    methanol 789.74
    isopropanol 608.01
    water 0.9
    ethyl acetate 545.89
    n-propanol 723.77
    acetone 458.41
    n-butanol 811.83
    acetonitrile 464.15
    DMF 440.92
    toluene 246.56
    isobutanol 493.03
    1,4-dioxane 757.53
    methyl acetate 421.26
    THF 1057.51
    2-butanone 501.19
    n-pentanol 503.08
    sec-butanol 515.89
    n-hexane 90.35
    ethylene glycol 132.34
    NMP 279.31
    cyclohexane 89.98
    DMSO 324.78
    n-butyl acetate 753.92
    n-octanol 255.13
    chloroform 820.33
    n-propyl acetate 403.08
    acetic acid 402.12
    dichloromethane 613.37
    cyclohexanone 508.97
    propylene glycol 271.75
    isopropyl acetate 331.66
    DMAc 303.24
    2-ethoxyethanol 555.41
    isopentanol 621.41
    n-heptane 118.5
    ethyl formate 413.05
    1,2-dichloroethane 379.32
    n-hexanol 917.78
    2-methoxyethanol 886.13
    isobutyl acetate 292.92
    tetrachloromethane 120.96
    n-pentyl acetate 227.09
    transcutol 1369.4
    n-heptanol 318.7
    ethylbenzene 166.88
    MIBK 345.84
    2-propoxyethanol 946.22
    tert-butanol 731.08
    MTBE 609.58
    2-butoxyethanol 462.01
    propionic acid 341.29
    o-xylene 143.46
    formic acid 141.24
    diethyl ether 626.55
    m-xylene 200.34
    p-xylene 185.26
    chlorobenzene 238.44
    dimethyl carbonate 122.49
    n-octane 32.65
    formamide 184.63
    cyclopentanone 523.6
    2-pentanone 525.76
    anisole 348.88
    cyclopentyl methyl ether 489.37
    gamma-butyrolactone 487.53
    1-methoxy-2-propanol 682.29
    pyridine 448.71
    3-pentanone 299.08
    furfural 466.59
    n-dodecane 22.06
    diethylene glycol 476.19
    diisopropyl ether 202.17
    tert-amyl alcohol 551.55
    acetylacetone 334.01
    n-hexadecane 23.94
    acetophenone 243.04
    methyl propionate 353.82
    isopentyl acetate 622.5
    trichloroethylene 664.75
    n-nonanol 211.72
    cyclohexanol 384.38
    benzyl alcohol 270.99
    2-ethylhexanol 551.13
    isooctanol 246.25
    dipropyl ether 635.85
    1,2-dichlorobenzene 198.84
    ethyl lactate 196.69
    propylene carbonate 343.53
    n-methylformamide 327.83
    2-pentanol 513.79
    n-pentane 85.72
    1-propoxy-2-propanol 820.38
    1-methoxy-2-propyl acetate 527.65
    2-(2-methoxypropoxy) propanol 336.28
    mesitylene 126.14
    ε-caprolactone 424.68
    p-cymene 162.84
    epichlorohydrin 694.19
    1,1,1-trichloroethane 357.93
    2-aminoethanol 377.34
    morpholine-4-carbaldehyde 513.79
    sulfolane 362.24
    2,2,4-trimethylpentane 53.95
    2-methyltetrahydrofuran 723.8
    n-hexyl acetate 338.24
    isooctane 57.53
    2-(2-butoxyethoxy)ethanol 523.06
    sec-butyl acetate 279.33
    tert-butyl acetate 377.27
    decalin 53.3
    glycerin 273.94
    diglyme 791.3
    acrylic acid 222.85
    isopropyl myristate 135.41
    n-butyric acid 603.04
    acetyl acetate 215.87
    di(2-ethylhexyl) phthalate 139.13
    ethyl propionate 319.69
    nitromethane 465.33
    1,2-diethoxyethane 551.7
    benzonitrile 285.63
    trioctyl phosphate 112.87
    1-bromopropane 371.35
    gamma-valerolactone 668.2
    n-decanol 162.18
    triethyl phosphate 139.28
    4-methyl-2-pentanol 324.25
    propionitrile 476.5
    vinylene carbonate 299.68
    1,1,2-trichlorotrifluoroethane 398.18
    DMS 161.24
    cumene 129.07
    2-octanol 169.4
    2-hexanone 399.84
    octyl acetate 174.32
    limonene 239.9
    1,2-dimethoxyethane 778.91
    ethyl orthosilicate 162.97
    tributyl phosphate 132.4
    diacetone alcohol 445.23
    N,N-dimethylaniline 223.34
    acrylonitrile 398.68
    aniline 273.35
    1,3-propanediol 494.53
    bromobenzene 232.96
    dibromomethane 472.36
    1,1,2,2-tetrachloroethane 521.86
    2-methyl-cyclohexyl acetate 314.54
    tetrabutyl urea 149.92
    diisobutyl methanol 270.66
    2-phenylethanol 337.78
    styrene 183.93
    dioctyl adipate 191.97
    dimethyl sulfate 125.55
    ethyl butyrate 477.18
    methyl lactate 185.45
    butyl lactate 213.53
    diethyl carbonate 253.28
    propanediol butyl ether 379.43
    triethyl orthoformate 295.6
    p-tert-butyltoluene 168.03
    methyl 4-tert-butylbenzoate 233.5
    morpholine 945.01
    tert-butylamine 544.06
    n-dodecanol 128.68
    dimethoxymethane 482.12
    ethylene carbonate 268.55
    cyrene 265.01
    2-ethoxyethyl acetate 294.7
    2-ethylhexyl acetate 468.05
    1,2,4-trichlorobenzene 219.03
    4-methylpyridine 439.34
    dibutyl ether 284.76
    2,6-dimethyl-4-heptanol 270.66
    DEF 405.4
    dimethyl isosorbide 467.38
    tetrachloroethylene 307.63
    eugenol 242.05
    triacetin 242.14
    span 80 321.49
    1,4-butanediol 201.05
    1,1-dichloroethane 465.93
    2-methyl-1-pentanol 419.75
    methyl formate 242.02
    2-methyl-1-butanol 524.06
    n-decane 40.28
    butyronitrile 674.16
    3,7-dimethyl-1-octanol 286.9
    1-chlorooctane 146.34
    1-chlorotetradecane 54.35
    n-nonane 40.82
    undecane 28.16
    tert-butylcyclohexane 67.69
    cyclooctane 40.57
    cyclopentanol 310.09
    tetrahydropyran 805.28
    tert-amyl methyl ether 422.76
    2,5,8-trioxanonane 499.83
    1-hexene 335.79
    2-isopropoxyethanol 405.5
    2,2,2-trifluoroethanol 88.63
    methyl butyrate 419.39

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction / Specification
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.034 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.052 %
Category 2
Products applied to the axillae
 0.2 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.052 %
Category 3
Products applied to the face/body using fingertips
 0.025 % Category 8
Products with significant anogenital exposure
 0.013 %
Category 4
Products related to fine fragrance
 1.7 % Category 9
Products with body and hand exposure, primarily rinse off
 0.14 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.43 % Category 10A
Household care products with mostly hand contact
 0.14 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.061 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.039 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.013 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.013 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.013 %
Category 6
Products with oral and lip exposure
 0.0025 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 8.6 %

Specification
2,2-Dimethyl-3-(3-tolyl)propan-1-ol should only be used as a fragrance ingredient if traces of organochlorine compounds are restricted. Total Chlorine, which can be measured by Atomic Absorption Spectroscopy, must not exceed 25 ppm in the raw material.