3,5-Dimethylbenzyl alcohol

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  • Identifiers

    CAS number
    27129-87-9

    Molecular formula
    C9H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 64.31%
    Sweet 42.31%
    Green 40.65%
    Woody 39.7%
    Fruity 36.39%
    Animal 35.75%
    Phenolic 34.41%
    Rose 31.24%
    Leathery 30.7%
    Earthy 29.71%

     

    Flavor
    Sweet 58.21%
    Woody 39.89%
    Phenolic 39.15%
    Spicy 37.25%
    Floral 36.51%
    Powdery 34.51%
    Fruity 32.66%
    Vanilla 26.69%
    Medicinal 26.13%
    Spice 25.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.39 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point

    • 100.4 ˚C est.

  • Synonyms

    • 27129-87-9
    • 3,5-DIMETHYLBENZYL ALCOHOL
    • Benzenemethanol, 3,5-dimethyl-
    • EINECS 248-241-2
    • DTXSID30181593
    • RefChem:487022
    • DTXCID70104084
    • 248-241-2
    • (3,5-Dimethylphenyl)methanol
    • 3,5-Dimethylbenzenemethanol
    • 3,5-Dimethylbenzylalcohol
    • MFCD00004648
    • Benzyl alcohol, 3,5-dimethyl-
    • 1-(Hydroxymethyl)-3,5-dimethylbenzene
    • (3,5-dimethylphenyl)methan-1-ol
    • Benzenemethanol,3,5-dimethyl-
    • 7UXP4Z8EX9
    • SCHEMBL92965
    • 3,5-Dimethyl benzyl alcohol
    • SCHEMBL396658
    • benzenemethanol, 3,5-dimethyl
    • SCHEMBL6631552
    • SCHEMBL7784851
    • SCHEMBL10886772
    • (3,5-Dimethylphenyl)methanol #
    • CHEBI:231518
    • 3,5-Dimethylbenzyl alcohol, 98%
    • 3,5-Dimethyl-1-hydroxymethylbenzene
    • SBB064815
    • AKOS009157538
    • FD70768
    • AS-18666
    • SY009135
    • DB-067735
    • CS-0153260
    • NS00028258
    • ST51038048
    • EN300-1259109
    • F219220
    • InChI=1/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H
    • 27129-87-9

  • Applications

    3,5-Dimethylbenzyl alcohol (CAS 27129-87-9) is primarily used as a synthetic building block in fragrance chemistry, enabling the preparation of fragrance components and related esters. It can also serve as a solvent or processing aid in industrial formulations such as paints and inks. Additionally, it acts as a precursor in the synthesis of pharmaceutical intermediates and provides a route to polymer and plastic material components via esterification and related transformations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1672.45
    methanol 1879.07
    isopropanol 1054.11
    water 3.87
    ethyl acetate 908.31
    n-propanol 1162.4
    acetone 1558.2
    n-butanol 1009.78
    acetonitrile 1388.18
    DMF 1211.08
    toluene 402.71
    isobutanol 711.01
    1,4-dioxane 2307.52
    methyl acetate 832.18
    THF 3352.52
    2-butanone 950.4
    n-pentanol 621.98
    sec-butanol 653.25
    n-hexane 262.92
    ethylene glycol 296.06
    NMP 718.45
    cyclohexane 214.48
    DMSO 1083.81
    n-butyl acetate 712.69
    n-octanol 341.54
    chloroform 1378.48
    n-propyl acetate 459.61
    acetic acid 577.75
    dichloromethane 1301.23
    cyclohexanone 1036.46
    propylene glycol 266.48
    isopropyl acetate 428.35
    DMAc 383.99
    2-ethoxyethanol 733.44
    isopentanol 614.59
    n-heptane 196.57
    ethyl formate 670.95
    1,2-dichloroethane 1043.35
    n-hexanol 1053.4
    2-methoxyethanol 1315.98
    isobutyl acetate 284.34
    tetrachloromethane 321.91
    n-pentyl acetate 307.78
    transcutol 933.25
    n-heptanol 372.88
    ethylbenzene 194.67
    MIBK 488.97
    2-propoxyethanol 1326.78
    tert-butanol 995.93
    MTBE 913.71
    2-butoxyethanol 502.42
    propionic acid 543.25
    o-xylene 187.68
    formic acid 248.01
    diethyl ether 1525.27
    m-xylene 276.76
    p-xylene 187.7
    chlorobenzene 395.98
    dimethyl carbonate 262.27
    n-octane 74.71
    formamide 324.62
    cyclopentanone 1464.87
    2-pentanone 941.95
    anisole 399.45
    cyclopentyl methyl ether 1174.57
    gamma-butyrolactone 1434.4
    1-methoxy-2-propanol 914.71
    pyridine 794.72
    3-pentanone 562.49
    furfural 737.07
    n-dodecane 45.21
    diethylene glycol 739.73
    diisopropyl ether 335.34
    tert-amyl alcohol 548.05
    acetylacetone 616.64
    n-hexadecane 50.58
    acetophenone 255.59
    methyl propionate 646.4
    isopentyl acetate 476.85
    trichloroethylene 1226.91
    n-nonanol 265.39
    cyclohexanol 590.35
    benzyl alcohol 275.66
    2-ethylhexanol 447.07
    isooctanol 266.12
    dipropyl ether 669.78
    1,2-dichlorobenzene 276.54
    ethyl lactate 181.08
    propylene carbonate 565.77
    n-methylformamide 858.43
    2-pentanol 594.48
    n-pentane 230.76
    1-propoxy-2-propanol 756.16
    1-methoxy-2-propyl acetate 477.75
    2-(2-methoxypropoxy) propanol 248.7
    mesitylene 174.81
    ε-caprolactone 756.73
    p-cymene 132.99
    epichlorohydrin 1637.46
    1,1,1-trichloroethane 836.5
    2-aminoethanol 511.97
    morpholine-4-carbaldehyde 878.75
    sulfolane 1116.89
    2,2,4-trimethylpentane 76.38
    2-methyltetrahydrofuran 1774.37
    n-hexyl acetate 432.16
    isooctane 87.67
    2-(2-butoxyethoxy)ethanol 437.01
    sec-butyl acetate 252.47
    tert-butyl acetate 489.38
    decalin 86.81
    glycerin 309.68
    diglyme 782.6
    acrylic acid 371.77
    isopropyl myristate 163.41
    n-butyric acid 764.73
    acetyl acetate 338.76
    di(2-ethylhexyl) phthalate 111.75
    ethyl propionate 362.42
    nitromethane 1126.09
    1,2-diethoxyethane 556.15
    benzonitrile 334.48
    trioctyl phosphate 120.11
    1-bromopropane 825.54
    gamma-valerolactone 1363.39
    n-decanol 196.48
    triethyl phosphate 126.62
    4-methyl-2-pentanol 309.33
    propionitrile 923.76
    vinylene carbonate 474.78
    1,1,2-trichlorotrifluoroethane 519.87
    DMS 222.42
    cumene 132.19
    2-octanol 239.23
    2-hexanone 531.79
    octyl acetate 207.53
    limonene 234.83
    1,2-dimethoxyethane 1164.37
    ethyl orthosilicate 135.81
    tributyl phosphate 118.95
    diacetone alcohol 506.1
    N,N-dimethylaniline 211.06
    acrylonitrile 812.02
    aniline 363.11
    1,3-propanediol 693.13
    bromobenzene 401.38
    dibromomethane 1079.86
    1,1,2,2-tetrachloroethane 900.59
    2-methyl-cyclohexyl acetate 233.99
    tetrabutyl urea 147.97
    diisobutyl methanol 240.03
    2-phenylethanol 349.87
    styrene 233.75
    dioctyl adipate 161.58
    dimethyl sulfate 299.68
    ethyl butyrate 373.72
    methyl lactate 242.26
    butyl lactate 180.63
    diethyl carbonate 192.03
    propanediol butyl ether 307.68
    triethyl orthoformate 213.47
    p-tert-butyltoluene 145.39
    methyl 4-tert-butylbenzoate 228.05
    morpholine 2128.8
    tert-butylamine 628.13
    n-dodecanol 152.8
    dimethoxymethane 1160.62
    ethylene carbonate 481.44
    cyrene 226.48
    2-ethoxyethyl acetate 343.15
    2-ethylhexyl acetate 349.0
    1,2,4-trichlorobenzene 285.95
    4-methylpyridine 719.31
    dibutyl ether 371.1
    2,6-dimethyl-4-heptanol 240.03
    DEF 639.65
    dimethyl isosorbide 426.71
    tetrachloroethylene 589.89
    eugenol 228.97
    triacetin 194.63
    span 80 243.01
    1,4-butanediol 304.13
    1,1-dichloroethane 1091.71
    2-methyl-1-pentanol 368.73
    methyl formate 705.48
    2-methyl-1-butanol 526.25
    n-decane 82.72
    butyronitrile 1064.37
    3,7-dimethyl-1-octanol 253.33
    1-chlorooctane 262.12
    1-chlorotetradecane 94.59
    n-nonane 93.44
    undecane 58.6
    tert-butylcyclohexane 101.5
    cyclooctane 93.49
    cyclopentanol 726.88
    tetrahydropyran 2015.21
    tert-amyl methyl ether 511.74
    2,5,8-trioxanonane 423.21
    1-hexene 574.96
    2-isopropoxyethanol 475.42
    2,2,2-trifluoroethanol 186.84
    methyl butyrate 479.85

    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