1-p-Tolylethanol, (-)-

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  • Identifiers

    CAS number
    51154-54-2

    Molecular formula
    C9H12O

    SMILES
    CC1=CC=C(C=C1)[C@H](C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 92.4%
    Sweet 82.95%
    Green 51.97%
    Hawthorn 51.85%
    Almond 50.6%
    Rose 49.81%
    Cherry 48.48%
    Powdery 45.4%
    Anisic 43.96%
    Herbal 42.95%

     

    Flavor
    Sweet 92.65%
    Floral 71.9%
    Powdery 45.69%
    Hawthorn 39.79%
    Nutty 39.41%
    Spicy 39.02%
    Flower 38.29%
    Balsam 38.04%
    Fruity 34.27%
    Phenolic 32.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.33 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    219°C

    Flash point

    • 98.52 ˚C est.

  • Synonyms

    • 51154-54-2
    • (S)-1-(4-Methylphenyl)ethanol
    • (1S)-1-(4-methylphenyl)ethanol
    • 1-p-Tolylethanol, (-)-
    • (1S)-1-(p-Tolyl)ethanol
    • (S)-1-(4-Tolyl)ethanol
    • (S)-1-(p-Methylphenyl)ethanol
    • (-)-1-(P-Methylphenyl)ethanol
    • (-)-1-(4-Methylphenyl)ethanol
    • UNII-2QQX72AAKS
    • 2QQX72AAKS
    • (S)-(-)-1-(p-Methylphenyl)ethanol
    • (S)-(-)-1-(4-Methylphenyl)ethanol
    • FEMA No. 3139, (-)-
    • (alphaS)-alpha,4-Dimethylbenzenemethanol
    • Benzenemethanol, alpha,4-dimethyl-, (S)-
    • DTXSID00199180
    • Benzenemethanol, alpha,4-dimethyl-, (alphaS)-
    • BENZENEMETHANOL, .ALPHA.,4-DIMETHYL-, (S)-
    • (.ALPHA.S)-.ALPHA.,4-DIMETHYLBENZENEMETHANOL
    • BENZENEMETHANOL, .ALPHA.,4-DIMETHYL-, (.ALPHA.S)-
    • RefChem:76829
    • DTXCID30121671
    • (1S)-1-(4-methylphenyl)ethan-1-ol
    • (alphaS)-alpha,4-Dimethylbenzyl alcohol
    • MFCD11046060
    • (|AS)-|A,4-Dimethylbenzyl alcohol
    • (-)-1-p-tolylethanol
    • (S)-1-(p-Tolyl)ethanol
    • SCHEMBL3073684
    • (S)-1-(p-tolyl)ethan-1-ol
    • (s)-1-(4-methylphenyl)-ethanol
    • 4-methylphenyl-(1S)-ethan-1-ol
    • AKOS010401005
    • EBC-776995
    • BS-45266
    • SY141711
    • DB-300078
    • CS-0222820
    • D97156
    • EN300-112786
    • F645137
    • Q27255489
    • Z1127664278
    • 51154-54-2

  • Applications

    1-p-Tolylethanol, (-)- is used as a chiral building block in the synthesis of pharmaceutical active ingredients; it also serves as an intermediate for the preparation of chiral agrochemicals with plant-protection activity; in fragrance and cosmetics, it functions as a fragrance intermediate or precursor for aroma compounds in perfumes and personal care products; in the food industry, it may be evaluated as a flavor/aroma precursor; and in household cleaning products, it can appear as a fragrance additive to enhance scent profiles; its use is typically subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1372.34
    methanol 437.69
    isopropanol 1029.33
    water 2.01
    ethyl acetate 813.76
    n-propanol 1080.56
    acetone 886.18
    n-butanol 899.65
    acetonitrile 1548.85
    DMF 622.17
    toluene 171.51
    isobutanol 613.69
    1,4-dioxane 1876.24
    methyl acetate 731.28
    THF 1580.4
    2-butanone 738.29
    n-pentanol 432.26
    sec-butanol 627.98
    n-hexane 57.43
    ethylene glycol 130.64
    NMP 350.08
    cyclohexane 98.22
    DMSO 685.58
    n-butyl acetate 551.81
    n-octanol 208.19
    chloroform 1243.44
    n-propyl acetate 355.1
    acetic acid 567.99
    dichloromethane 1379.9
    cyclohexanone 738.88
    propylene glycol 251.1
    isopropyl acetate 301.4
    DMAc 346.59
    2-ethoxyethanol 455.35
    isopentanol 509.28
    n-heptane 96.84
    ethyl formate 607.86
    1,2-dichloroethane 689.59
    n-hexanol 686.96
    2-methoxyethanol 821.28
    isobutyl acetate 169.91
    tetrachloromethane 174.5
    n-pentyl acetate 177.0
    transcutol 1132.02
    n-heptanol 230.14
    ethylbenzene 87.67
    MIBK 234.88
    2-propoxyethanol 721.55
    tert-butanol 875.48
    MTBE 517.75
    2-butoxyethanol 309.68
    propionic acid 510.19
    o-xylene 98.63
    formic acid 132.59
    diethyl ether 877.66
    m-xylene 110.25
    p-xylene 111.55
    chlorobenzene 239.6
    dimethyl carbonate 137.33
    n-octane 26.56
    formamide 287.18
    cyclopentanone 838.62
    2-pentanone 595.41
    anisole 224.84
    cyclopentyl methyl ether 513.78
    gamma-butyrolactone 890.26
    1-methoxy-2-propanol 576.39
    pyridine 695.05
    3-pentanone 360.33
    furfural 517.53
    n-dodecane 20.34
    diethylene glycol 371.46
    diisopropyl ether 150.11
    tert-amyl alcohol 502.74
    acetylacetone 387.26
    n-hexadecane 22.91
    acetophenone 160.59
    methyl propionate 457.55
    isopentyl acetate 342.58
    trichloroethylene 991.38
    n-nonanol 167.56
    cyclohexanol 452.01
    benzyl alcohol 168.03
    2-ethylhexanol 309.4
    isooctanol 153.19
    dipropyl ether 492.51
    1,2-dichlorobenzene 173.9
    ethyl lactate 110.64
    propylene carbonate 418.4
    n-methylformamide 454.92
    2-pentanol 463.69
    n-pentane 67.5
    1-propoxy-2-propanol 452.94
    1-methoxy-2-propyl acetate 341.7
    2-(2-methoxypropoxy) propanol 219.94
    mesitylene 65.22
    ε-caprolactone 541.9
    p-cymene 83.7
    epichlorohydrin 1027.74
    1,1,1-trichloroethane 553.24
    2-aminoethanol 358.54
    morpholine-4-carbaldehyde 596.69
    sulfolane 541.45
    2,2,4-trimethylpentane 29.59
    2-methyltetrahydrofuran 1087.51
    n-hexyl acetate 256.37
    isooctane 25.39
    2-(2-butoxyethoxy)ethanol 340.95
    sec-butyl acetate 174.52
    tert-butyl acetate 252.75
    decalin 34.12
    glycerin 227.91
    diglyme 627.89
    acrylic acid 312.0
    isopropyl myristate 101.8
    n-butyric acid 789.0
    acetyl acetate 294.9
    di(2-ethylhexyl) phthalate 88.95
    ethyl propionate 269.59
    nitromethane 940.43
    1,2-diethoxyethane 509.67
    benzonitrile 241.12
    trioctyl phosphate 74.82
    1-bromopropane 486.69
    gamma-valerolactone 906.86
    n-decanol 125.03
    triethyl phosphate 104.42
    4-methyl-2-pentanol 186.56
    propionitrile 829.0
    vinylene carbonate 365.8
    1,1,2-trichlorotrifluoroethane 374.06
    DMS 154.02
    cumene 67.51
    2-octanol 128.85
    2-hexanone 338.94
    octyl acetate 129.53
    limonene 147.81
    1,2-dimethoxyethane 801.36
    ethyl orthosilicate 107.13
    tributyl phosphate 89.39
    diacetone alcohol 282.75
    N,N-dimethylaniline 126.55
    acrylonitrile 682.89
    aniline 269.44
    1,3-propanediol 564.36
    bromobenzene 217.43
    dibromomethane 831.27
    1,1,2,2-tetrachloroethane 655.11
    2-methyl-cyclohexyl acetate 180.21
    tetrabutyl urea 108.59
    diisobutyl methanol 137.38
    2-phenylethanol 209.58
    styrene 111.29
    dioctyl adipate 138.11
    dimethyl sulfate 158.07
    ethyl butyrate 352.54
    methyl lactate 137.66
    butyl lactate 126.75
    diethyl carbonate 194.2
    propanediol butyl ether 234.64
    triethyl orthoformate 188.23
    p-tert-butyltoluene 84.08
    methyl 4-tert-butylbenzoate 161.3
    morpholine 1864.22
    tert-butylamine 550.04
    n-dodecanol 97.31
    dimethoxymethane 553.87
    ethylene carbonate 364.76
    cyrene 174.48
    2-ethoxyethyl acetate 240.84
    2-ethylhexyl acetate 255.47
    1,2,4-trichlorobenzene 195.25
    4-methylpyridine 528.06
    dibutyl ether 257.0
    2,6-dimethyl-4-heptanol 137.38
    DEF 433.57
    dimethyl isosorbide 343.51
    tetrachloroethylene 398.3
    eugenol 149.42
    triacetin 184.29
    span 80 216.29
    1,4-butanediol 158.98
    1,1-dichloroethane 784.2
    2-methyl-1-pentanol 271.08
    methyl formate 360.12
    2-methyl-1-butanol 460.32
    n-decane 36.36
    butyronitrile 911.56
    3,7-dimethyl-1-octanol 162.82
    1-chlorooctane 119.53
    1-chlorotetradecane 48.52
    n-nonane 37.27
    undecane 26.51
    tert-butylcyclohexane 36.04
    cyclooctane 29.9
    cyclopentanol 515.36
    tetrahydropyran 1475.8
    tert-amyl methyl ether 283.73
    2,5,8-trioxanonane 408.23
    1-hexene 234.82
    2-isopropoxyethanol 281.52
    2,2,2-trifluoroethanol 142.88
    methyl butyrate 374.12

    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