3-Methylbenzyl alcohol

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  • Identifiers

    CAS number
    587-03-1

    Molecular formula
    C8H10O

    SMILES
    CC1=CC(=CC=C1)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 85.79%
    Sweet 74.8%
    Fruity 57.52%
    Rose 56.11%
    Almond 45.53%
    Balsamic 43.06%
    Green 42.09%
    Cherry 42.0%
    Powdery 38.09%
    Hyacinth 37.56%

     

    Flavor
    Sweet 85.71%
    Floral 58.21%
    Fruity 57.73%
    Cherry 50.46%
    Powdery 47.35%
    Phenolic 46.74%
    Spicy 39.94%
    Almond 37.34%
    Flower 36.89%
    Hawthorn 36.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.7 (neutral)

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    223°C

    Flash point

    • 95.49 ˚C est.

  • Synonyms

    • 3-METHYLBENZYL ALCOHOL
    • 587-03-1
    • (3-Methylphenyl)methanol
    • m-tolylmethanol
    • m-Tolyl carbinol
    • m-METHYLBENZYL ALCOHOL
    • 3-methyl-benzenemethanol
    • TTG38P37U6
    • DTXSID4039497
    • NSC-9397
    • CHEBI:27995
    • 3-MBA
    • RefChem:504149
    • DTXCID2019497
    • 209-595-3
    • Benzenemethanol, 3-methyl-
    • 3-methylbenzylalcohol
    • m-Tolualcohol
    • MFCD00004646
    • m-Methyl benzyl alcohol
    • 3-Methylbenzenemethanol
    • NSC 9397
    • EINECS 209-595-3
    • UNII-TTG38P37U6
    • AI3-21575
    • 3-Tolylcarbinol
    • 3-methylphenylmethanol
    • alpha-Hydroxy-m-xylene
    • 3-methyl-benzyl alcohol
    • bmse000540
    • (3-Methylphenyl)methanol #
    • SCHEMBL10735
    • SCHEMBL95653
    • ghl.PD_Mitscher_leg0.163
    • (3-methylphenyl)methan-1-ol
    • SCHEMBL231469
    • 3-Methylbenzyl alcohol, 98%
    • SCHEMBL1663658
    • SCHEMBL5466454
    • SCHEMBL6083570
    • SCHEMBL10461759
    • SCHEMBL16954583
    • SCHEMBL27626816
    • BENZENEMETHANOL, 3-METHYL
    • NSC9397
    • BENZYL ALCOHOL, M-METHYL-
    • SBB064816
    • AKOS000249532
    • FM76529
    • Meclizine 3-Methylbenzyl Impurity (Usp)
    • AS-57708
    • SY049022
    • DB-072514
    • CS-0204774
    • M1124
    • NS00034003
    • 3-METHYLBENZYL ALCOHOL (587-03-1)
    • C07216
    • EN300-309269
    • H10820
    • F533386
    • Q27290322
    • InChI=1/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H
    • MECLIZINE HYDROCHLORIDE IMPURITY, 3-METHYLBENZYL ALCOHOL- [USP IMPURITY]
    • 587-03-1

  • Applications

    3-Methylbenzyl alcohol (CAS 587-03-1) is used as a versatile intermediate and fragrance-related material in several industries: as a building block for fragrance and flavor compounds; as a solvent or reagent in pharmaceutical and polymer synthesis; as a precursor for dye and pigment intermediates in industrial manufacturing; as a fragrance ingredient in cosmetics and personal care products; as a reactive intermediate or solvent in coatings and inks; and as a solvent or carrier in cleaning formulations, with usage governed by applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2244.2
    methanol 1878.4
    isopropanol 1485.21
    water 6.12
    ethyl acetate 1177.24
    n-propanol 1571.68
    acetone 1556.36
    n-butanol 1195.08
    acetonitrile 1638.01
    DMF 1238.7
    toluene 298.64
    isobutanol 904.14
    1,4-dioxane 2642.24
    methyl acetate 1131.76
    THF 2382.96
    2-butanone 1077.62
    n-pentanol 676.0
    sec-butanol 871.16
    n-hexane 107.98
    ethylene glycol 377.85
    NMP 640.19
    cyclohexane 88.56
    DMSO 1439.85
    n-butyl acetate 689.8
    n-octanol 294.09
    chloroform 1421.33
    n-propyl acetate 563.53
    acetic acid 918.63
    dichloromethane 1182.0
    cyclohexanone 915.66
    propylene glycol 375.32
    isopropyl acetate 479.17
    DMAc 448.13
    2-ethoxyethanol 893.65
    isopentanol 718.19
    n-heptane 102.73
    ethyl formate 790.02
    1,2-dichloroethane 952.7
    n-hexanol 982.46
    2-methoxyethanol 1455.34
    isobutyl acetate 334.54
    tetrachloromethane 260.7
    n-pentyl acetate 243.07
    transcutol 1304.98
    n-heptanol 360.86
    ethylbenzene 143.36
    MIBK 449.45
    2-propoxyethanol 1311.56
    tert-butanol 1263.02
    MTBE 886.33
    2-butoxyethanol 553.75
    propionic acid 900.12
    o-xylene 140.97
    formic acid 368.1
    diethyl ether 1331.76
    m-xylene 196.03
    p-xylene 143.21
    chlorobenzene 351.01
    dimethyl carbonate 261.47
    n-octane 41.22
    formamide 524.23
    cyclopentanone 1251.36
    2-pentanone 893.36
    anisole 381.55
    cyclopentyl methyl ether 857.45
    gamma-butyrolactone 1345.52
    1-methoxy-2-propanol 978.32
    pyridine 879.17
    3-pentanone 485.5
    furfural 773.53
    n-dodecane 28.22
    diethylene glycol 820.08
    diisopropyl ether 259.84
    tert-amyl alcohol 660.46
    acetylacetone 653.57
    n-hexadecane 31.17
    acetophenone 246.57
    methyl propionate 705.63
    isopentyl acetate 455.84
    trichloroethylene 1239.17
    n-nonanol 234.69
    cyclohexanol 540.34
    benzyl alcohol 288.03
    2-ethylhexanol 382.37
    isooctanol 262.84
    dipropyl ether 545.89
    1,2-dichlorobenzene 239.87
    ethyl lactate 195.55
    propylene carbonate 535.54
    n-methylformamide 1039.63
    2-pentanol 650.29
    n-pentane 107.43
    1-propoxy-2-propanol 768.02
    1-methoxy-2-propyl acetate 465.01
    2-(2-methoxypropoxy) propanol 298.26
    mesitylene 118.99
    ε-caprolactone 736.41
    p-cymene 98.31
    epichlorohydrin 1546.03
    1,1,1-trichloroethane 777.7
    2-aminoethanol 740.02
    morpholine-4-carbaldehyde 944.78
    sulfolane 1080.91
    2,2,4-trimethylpentane 46.31
    2-methyltetrahydrofuran 1377.9
    n-hexyl acetate 352.69
    isooctane 56.76
    2-(2-butoxyethoxy)ethanol 513.21
    sec-butyl acetate 279.24
    tert-butyl acetate 463.98
    decalin 50.04
    glycerin 431.54
    diglyme 881.16
    acrylic acid 570.5
    isopropyl myristate 140.79
    n-butyric acid 1109.65
    acetyl acetate 393.46
    di(2-ethylhexyl) phthalate 103.28
    ethyl propionate 386.48
    nitromethane 1598.6
    1,2-diethoxyethane 555.54
    benzonitrile 330.95
    trioctyl phosphate 105.58
    1-bromopropane 681.2
    gamma-valerolactone 1334.8
    n-decanol 177.6
    triethyl phosphate 114.03
    4-methyl-2-pentanol 313.86
    propionitrile 1051.48
    vinylene carbonate 482.58
    1,1,2-trichlorotrifluoroethane 613.52
    DMS 197.33
    cumene 97.96
    2-octanol 196.22
    2-hexanone 536.32
    octyl acetate 183.32
    limonene 167.27
    1,2-dimethoxyethane 1133.44
    ethyl orthosilicate 121.1
    tributyl phosphate 107.8
    diacetone alcohol 536.93
    N,N-dimethylaniline 195.26
    acrylonitrile 1016.0
    aniline 395.28
    1,3-propanediol 924.39
    bromobenzene 329.12
    dibromomethane 883.97
    1,1,2,2-tetrachloroethane 858.68
    2-methyl-cyclohexyl acetate 213.6
    tetrabutyl urea 132.29
    diisobutyl methanol 207.51
    2-phenylethanol 360.18
    styrene 179.26
    dioctyl adipate 152.63
    dimethyl sulfate 315.58
    ethyl butyrate 401.42
    methyl lactate 272.45
    butyl lactate 173.81
    diethyl carbonate 199.73
    propanediol butyl ether 333.66
    triethyl orthoformate 207.73
    p-tert-butyltoluene 104.75
    methyl 4-tert-butylbenzoate 222.58
    morpholine 2299.3
    tert-butylamine 724.0
    n-dodecanol 138.03
    dimethoxymethane 982.54
    ethylene carbonate 462.34
    cyrene 238.6
    2-ethoxyethyl acetate 318.55
    2-ethylhexyl acetate 305.88
    1,2,4-trichlorobenzene 259.8
    4-methylpyridine 675.88
    dibutyl ether 290.32
    2,6-dimethyl-4-heptanol 207.51
    DEF 613.14
    dimethyl isosorbide 433.78
    tetrachloroethylene 567.48
    eugenol 245.64
    triacetin 203.9
    span 80 270.22
    1,4-butanediol 364.84
    1,1-dichloroethane 1100.36
    2-methyl-1-pentanol 399.87
    methyl formate 761.97
    2-methyl-1-butanol 619.96
    n-decane 50.07
    butyronitrile 1054.26
    3,7-dimethyl-1-octanol 233.65
    1-chlorooctane 178.92
    1-chlorotetradecane 69.59
    n-nonane 53.39
    undecane 35.99
    tert-butylcyclohexane 62.84
    cyclooctane 39.86
    cyclopentanol 687.6
    tetrahydropyran 1854.27
    tert-amyl methyl ether 440.44
    2,5,8-trioxanonane 504.71
    1-hexene 392.9
    2-isopropoxyethanol 582.0
    2,2,2-trifluoroethanol 275.31
    methyl butyrate 527.03

    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