3,4-Dimethylbenzyl alcohol

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  • Identifiers

    CAS number
    6966-10-5

    Molecular formula
    C9H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.55%
    Sweet 48.01%
    Green 39.96%
    Phenolic 39.56%
    Herbal 35.52%
    Rose 34.61%
    Earthy 33.67%
    Animal 33.3%
    Leathery 31.05%
    Anisic 30.51%

     

    Flavor
    Sweet 67.87%
    Phenolic 51.12%
    Powdery 43.88%
    Floral 43.04%
    Spicy 41.44%
    Medicinal 34.81%
    Vanilla 33.92%
    Smoky 31.56%
    Flower 30.1%
    Woody 29.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.37 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 106.66 ˚C est.

  • Synonyms

    • 3,4-DIMETHYLBENZYL ALCOHOL
    • (3,4-Dimethylphenyl)methanol
    • 6966-10-5
    • Benzenemethanol, 3,4-dimethyl-
    • AI3-21300
    • DTXSID60219954
    • EINECS 230-175-0
    • NSC 18728
    • RefChem:91213
    • DTXCID10142445
    • 230-175-0
    • InChI=1/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H
    • OKGZCXPDJKKZAP-UHFFFAOYSA-N
    • MFCD00004647
    • W26FBZ2PXH
    • 3,4-Dimethylbenzenemethanol
    • NSC-18728
    • (3,4-dimethylphenyl)methan-1-ol
    • 3,4-Dimethylbenzyl alcoho
    • NSC18728
    • UNII-W26FBZ2PXH
    • 3,4 dimethylbenzyl alcohol
    • SCHEMBL93048
    • SCHEMBL394775
    • (3,4-Dimethylphenyl);methanol
    • orb3030527
    • SCHEMBL6632434
    • (3,4-Dimethylphenyl)methanol #
    • CHEBI:231517
    • 3,4-Dimethylbenzyl alcohol, 99%
    • SBB063329
    • AKOS009156942
    • 1-(hydroxymethyl)-3,4-dimethylbenzene
    • AC-7308
    • FD64461
    • BP-11487
    • SY005661
    • DB-021939
    • CS-0044039
    • NS00043738
    • ST51038031
    • EN300-49126
    • 966D105
    • F237644
    • 6966-10-5

  • Applications

    3,4-Dimethylbenzyl alcohol (CAS 6966-10-5) is primarily viewed as a synthetic building block for fragrance-related compounds and finds broad use across industrial sectors. In the fragrance and cosmetics sectors, it is used as a fragrance ingredient and as a precursor for additional aroma compounds, and may also serve as a processing aid or solvent in certain formulations. In the food and flavor domain, it may function as a building block for aroma substances. In coatings and inks, it can act as an intermediate in organic synthesis or as a processing aid in formulation systems. In general industrial manufacturing, it is used as a precursor to more complex specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1150.59
    methanol 144.79
    isopropanol 968.43
    water 1.8
    ethyl acetate 1208.77
    n-propanol 1249.58
    acetone 1269.21
    n-butanol 909.79
    acetonitrile 1992.27
    DMF 935.78
    toluene 268.19
    isobutanol 734.82
    1,4-dioxane 2066.59
    methyl acetate 1182.25
    THF 1864.62
    2-butanone 1291.0
    n-pentanol 346.82
    sec-butanol 745.0
    n-hexane 41.47
    ethylene glycol 109.71
    NMP 493.3
    cyclohexane 69.59
    DMSO 797.76
    n-butyl acetate 649.35
    n-octanol 202.55
    chloroform 1758.42
    n-propyl acetate 419.97
    acetic acid 466.74
    dichloromethane 2376.82
    cyclohexanone 937.5
    propylene glycol 187.76
    isopropyl acetate 414.17
    DMAc 483.88
    2-ethoxyethanol 476.26
    isopentanol 494.0
    n-heptane 91.05
    ethyl formate 930.2
    1,2-dichloroethane 1410.82
    n-hexanol 689.42
    2-methoxyethanol 966.47
    isobutyl acetate 183.72
    tetrachloromethane 303.79
    n-pentyl acetate 219.28
    transcutol 804.75
    n-heptanol 256.94
    ethylbenzene 128.15
    MIBK 312.66
    2-propoxyethanol 800.71
    tert-butanol 940.1
    MTBE 751.07
    2-butoxyethanol 352.27
    propionic acid 637.71
    o-xylene 151.01
    formic acid 112.85
    diethyl ether 933.07
    m-xylene 161.12
    p-xylene 155.19
    chlorobenzene 369.75
    dimethyl carbonate 215.55
    n-octane 33.54
    formamide 340.04
    cyclopentanone 1341.1
    2-pentanone 806.38
    anisole 292.43
    cyclopentyl methyl ether 585.6
    gamma-butyrolactone 1542.14
    1-methoxy-2-propanol 688.48
    pyridine 1011.59
    3-pentanone 550.26
    furfural 698.63
    n-dodecane 21.84
    diethylene glycol 345.65
    diisopropyl ether 159.03
    tert-amyl alcohol 572.63
    acetylacetone 564.7
    n-hexadecane 25.3
    acetophenone 205.75
    methyl propionate 738.74
    isopentyl acetate 375.2
    trichloroethylene 1928.5
    n-nonanol 166.39
    cyclohexanol 418.16
    benzyl alcohol 194.96
    2-ethylhexanol 293.76
    isooctanol 174.81
    dipropyl ether 544.36
    1,2-dichlorobenzene 264.99
    ethyl lactate 134.35
    propylene carbonate 542.93
    n-methylformamide 819.75
    2-pentanol 467.83
    n-pentane 56.05
    1-propoxy-2-propanol 526.55
    1-methoxy-2-propyl acetate 391.97
    2-(2-methoxypropoxy) propanol 201.96
    mesitylene 96.97
    ε-caprolactone 721.41
    p-cymene 111.8
    epichlorohydrin 1896.78
    1,1,1-trichloroethane 1059.49
    2-aminoethanol 325.38
    morpholine-4-carbaldehyde 703.72
    sulfolane 866.41
    2,2,4-trimethylpentane 30.45
    2-methyltetrahydrofuran 1374.69
    n-hexyl acetate 287.81
    isooctane 29.58
    2-(2-butoxyethoxy)ethanol 321.12
    sec-butyl acetate 201.93
    tert-butyl acetate 337.78
    decalin 35.8
    glycerin 195.11
    diglyme 624.55
    acrylic acid 372.63
    isopropyl myristate 110.27
    n-butyric acid 892.09
    acetyl acetate 356.32
    di(2-ethylhexyl) phthalate 85.92
    ethyl propionate 360.51
    nitromethane 1292.7
    1,2-diethoxyethane 489.69
    benzonitrile 309.78
    trioctyl phosphate 80.6
    1-bromopropane 798.34
    gamma-valerolactone 1402.0
    n-decanol 128.39
    triethyl phosphate 114.04
    4-methyl-2-pentanol 179.53
    propionitrile 1238.3
    vinylene carbonate 486.9
    1,1,2-trichlorotrifluoroethane 481.33
    DMS 176.68
    cumene 91.9
    2-octanol 147.9
    2-hexanone 366.3
    octyl acetate 148.75
    limonene 181.5
    1,2-dimethoxyethane 806.73
    ethyl orthosilicate 114.13
    tributyl phosphate 88.46
    diacetone alcohol 383.02
    N,N-dimethylaniline 160.01
    acrylonitrile 1178.75
    aniline 331.11
    1,3-propanediol 601.64
    bromobenzene 369.48
    dibromomethane 1433.76
    1,1,2,2-tetrachloroethane 984.67
    2-methyl-cyclohexyl acetate 183.74
    tetrabutyl urea 112.3
    diisobutyl methanol 155.27
    2-phenylethanol 245.03
    styrene 152.07
    dioctyl adipate 133.46
    dimethyl sulfate 259.13
    ethyl butyrate 407.29
    methyl lactate 184.41
    butyl lactate 139.53
    diethyl carbonate 210.71
    propanediol butyl ether 213.07
    triethyl orthoformate 206.25
    p-tert-butyltoluene 113.8
    methyl 4-tert-butylbenzoate 194.2
    morpholine 2184.98
    tert-butylamine 551.97
    n-dodecanol 97.4
    dimethoxymethane 722.54
    ethylene carbonate 468.38
    cyrene 185.61
    2-ethoxyethyl acetate 298.46
    2-ethylhexyl acetate 271.31
    1,2,4-trichlorobenzene 287.6
    4-methylpyridine 736.38
    dibutyl ether 241.92
    2,6-dimethyl-4-heptanol 155.27
    DEF 631.28
    dimethyl isosorbide 356.51
    tetrachloroethylene 591.43
    eugenol 181.82
    triacetin 187.65
    span 80 192.38
    1,4-butanediol 147.72
    1,1-dichloroethane 1537.53
    2-methyl-1-pentanol 241.01
    methyl formate 597.73
    2-methyl-1-butanol 511.44
    n-decane 40.46
    butyronitrile 1078.82
    3,7-dimethyl-1-octanol 156.5
    1-chlorooctane 147.29
    1-chlorotetradecane 53.17
    n-nonane 40.89
    undecane 29.37
    tert-butylcyclohexane 38.7
    cyclooctane 28.58
    cyclopentanol 587.56
    tetrahydropyran 1576.59
    tert-amyl methyl ether 370.78
    2,5,8-trioxanonane 364.86
    1-hexene 189.64
    2-isopropoxyethanol 300.73
    2,2,2-trifluoroethanol 186.28
    methyl butyrate 471.53

    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