Benzeneethanol, beta-methoxy-

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  • Identifiers

    CAS number
    2979-22-8

    Molecular formula
    C9H12O2

    SMILES
    COC(CO)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 58.62%
    Floral 57.48%
    Sweet 55.11%
    Rose 47.77%
    Almond 39.52%
    Balsamic 33.72%
    Honey 33.61%
    Earthy 32.1%
    Bitter 31.9%
    Green 31.39%

     

    Flavor
    Floral 67.57%
    Sweet 66.83%
    Fruity 51.0%
    Green 41.78%
    Rose 40.59%
    Bitter 36.75%
    Hyacinth 34.99%
    Honey 30.9%
    Earthy 30.67%
    Balsam 28.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.25 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 113.59 ˚C est.

  • Synonyms

    • 2-methoxy-2-phenylethanol
    • 2979-22-8
    • 2-Methoxy-2-Phenylethan-1-Ol
    • Benzeneethanol, .beta.-methoxy-
    • beta-Methoxyphenethyl alcohol
    • Benzeneethanol, beta-methoxy-
    • EINECS 221-030-2
    • MFCD00075063
    • 2-Methoxy-2-phenyl-ethanol
    • DTXSID70863068
    • 2-Methoxy-2-phenylethanol, 99%
    • 2-Phenyl-2-methoxyethanol; beta-Methoxyphenethyl alcohol
    • SCHEMBL872713
    • OSM-S-338
    • DTXCID50811744
    • (+/-)-2-methoxy-2-phenylethanol
    • AKOS015891276
    • SB45118
    • SB45119
    • s11979
    • DS-15113
    • FM154645
    • SY107393
    • DB-028131
    • DB-054863
    • DB-065146
    • CS-0028761
    • NS00046898
    • EN300-187188
    • 2-Phenyl-2-methoxyethanol; -Methoxyphenethyl alcohol

  • Applications

    Benzeneethanol, beta-methoxy-, CAS 2979-22-8 is primarily used as a fragrance ingredient and odorant in perfumery and personal care, where it contributes to scent profiles and may act as a minor fixative in certain formulations. It is also utilized as an intermediate for the synthesis of fragrance compounds and other specialty chemicals in industrial manufacturing. The compound may be evaluated for aroma applications in the household and cleaning product sectors, and may be evaluated for flavor/aroma applications in the food sector, subject to regulatory controls. Its use, concentrations, and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 659.94
    methanol 753.32
    isopropanol 315.24
    water 18.08
    ethyl acetate 159.16
    n-propanol 427.72
    acetone 249.86
    n-butanol 275.47
    acetonitrile 420.5
    DMF 622.55
    toluene 54.45
    isobutanol 240.36
    1,4-dioxane 717.52
    methyl acetate 227.02
    THF 451.8
    2-butanone 184.6
    n-pentanol 159.17
    sec-butanol 213.96
    n-hexane 8.99
    ethylene glycol 462.51
    NMP 410.51
    cyclohexane 41.56
    DMSO 1272.83
    n-butyl acetate 117.24
    n-octanol 91.64
    chloroform 884.06
    n-propyl acetate 120.83
    acetic acid 656.92
    dichloromethane 1169.92
    cyclohexanone 317.19
    propylene glycol 287.89
    isopropyl acetate 64.41
    DMAc 298.74
    2-ethoxyethanol 362.3
    isopentanol 145.34
    n-heptane 26.28
    ethyl formate 258.15
    1,2-dichloroethane 559.12
    n-hexanol 183.38
    2-methoxyethanol 664.57
    isobutyl acetate 66.59
    tetrachloromethane 126.37
    n-pentyl acetate 64.72
    transcutol 526.55
    n-heptanol 97.28
    ethylbenzene 40.27
    MIBK 69.14
    2-propoxyethanol 288.72
    tert-butanol 307.58
    MTBE 111.61
    2-butoxyethanol 168.71
    propionic acid 384.44
    o-xylene 51.0
    formic acid 390.54
    diethyl ether 136.16
    m-xylene 42.85
    p-xylene 49.36
    chlorobenzene 146.76
    dimethyl carbonate 86.16
    n-octane 10.0
    formamide 586.46
    cyclopentanone 366.58
    2-pentanone 110.62
    anisole 122.84
    cyclopentyl methyl ether 158.16
    gamma-butyrolactone 518.98
    1-methoxy-2-propanol 307.37
    pyridine 379.37
    3-pentanone 89.46
    furfural 440.8
    n-dodecane 8.94
    diethylene glycol 366.48
    diisopropyl ether 29.68
    tert-amyl alcohol 182.69
    acetylacetone 128.9
    n-hexadecane 9.97
    acetophenone 118.78
    methyl propionate 146.57
    isopentyl acetate 88.07
    trichloroethylene 846.01
    n-nonanol 78.09
    cyclohexanol 211.59
    benzyl alcohol 139.47
    2-ethylhexanol 101.84
    isooctanol 74.67
    dipropyl ether 111.25
    1,2-dichlorobenzene 150.84
    ethyl lactate 104.47
    propylene carbonate 265.98
    n-methylformamide 550.31
    2-pentanol 110.84
    n-pentane 13.3
    1-propoxy-2-propanol 185.14
    1-methoxy-2-propyl acetate 107.64
    2-(2-methoxypropoxy) propanol 136.16
    mesitylene 32.29
    ε-caprolactone 264.61
    p-cymene 44.01
    epichlorohydrin 566.95
    1,1,1-trichloroethane 298.03
    2-aminoethanol 529.7
    morpholine-4-carbaldehyde 459.64
    sulfolane 642.3
    2,2,4-trimethylpentane 9.93
    2-methyltetrahydrofuran 296.24
    n-hexyl acetate 95.43
    isooctane 8.22
    2-(2-butoxyethoxy)ethanol 194.63
    sec-butyl acetate 57.26
    tert-butyl acetate 70.76
    decalin 16.54
    glycerin 413.57
    diglyme 428.89
    acrylic acid 361.35
    isopropyl myristate 44.53
    n-butyric acid 333.74
    acetyl acetate 99.26
    di(2-ethylhexyl) phthalate 54.64
    ethyl propionate 92.43
    nitromethane 867.87
    1,2-diethoxyethane 134.72
    benzonitrile 169.3
    trioctyl phosphate 45.58
    1-bromopropane 202.87
    gamma-valerolactone 447.54
    n-decanol 60.65
    triethyl phosphate 64.61
    4-methyl-2-pentanol 52.24
    propionitrile 271.28
    vinylene carbonate 277.9
    1,1,2-trichlorotrifluoroethane 475.49
    DMS 84.12
    cumene 34.47
    2-octanol 54.14
    2-hexanone 98.23
    octyl acetate 59.35
    limonene 71.37
    1,2-dimethoxyethane 442.61
    ethyl orthosilicate 61.9
    tributyl phosphate 48.03
    diacetone alcohol 132.88
    N,N-dimethylaniline 86.93
    acrylonitrile 378.06
    aniline 143.36
    1,3-propanediol 501.52
    bromobenzene 138.4
    dibromomethane 680.53
    1,1,2,2-tetrachloroethane 576.79
    2-methyl-cyclohexyl acetate 86.31
    tetrabutyl urea 71.48
    diisobutyl methanol 54.44
    2-phenylethanol 115.82
    styrene 53.45
    dioctyl adipate 76.09
    dimethyl sulfate 153.0
    ethyl butyrate 113.05
    methyl lactate 133.56
    butyl lactate 78.11
    diethyl carbonate 88.62
    propanediol butyl ether 149.07
    triethyl orthoformate 83.87
    p-tert-butyltoluene 39.88
    methyl 4-tert-butylbenzoate 111.72
    morpholine 691.62
    tert-butylamine 159.67
    n-dodecanol 48.16
    dimethoxymethane 262.51
    ethylene carbonate 238.14
    cyrene 160.35
    2-ethoxyethyl acetate 93.42
    2-ethylhexyl acetate 66.5
    1,2,4-trichlorobenzene 167.89
    4-methylpyridine 208.96
    dibutyl ether 73.14
    2,6-dimethyl-4-heptanol 54.44
    DEF 195.85
    dimethyl isosorbide 213.53
    tetrachloroethylene 418.91
    eugenol 123.58
    triacetin 115.61
    span 80 125.97
    1,4-butanediol 216.31
    1,1-dichloroethane 366.45
    2-methyl-1-pentanol 101.41
    methyl formate 406.91
    2-methyl-1-butanol 152.97
    n-decane 14.37
    butyronitrile 224.91
    3,7-dimethyl-1-octanol 69.69
    1-chlorooctane 57.22
    1-chlorotetradecane 23.85
    n-nonane 14.39
    undecane 11.09
    tert-butylcyclohexane 13.66
    cyclooctane 12.41
    cyclopentanol 274.46
    tetrahydropyran 384.96
    tert-amyl methyl ether 75.17
    2,5,8-trioxanonane 278.73
    1-hexene 34.84
    2-isopropoxyethanol 187.96
    2,2,2-trifluoroethanol 252.67
    methyl butyrate 145.04

    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