4-Methoxyphenethyl alcohol

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  • Identifiers

    CAS number
    702-23-8

    Molecular formula
    C9H12O2

    SMILES
    COC1=CC=C(C=C1)CCO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1380.0
    • Carbowax: 2343.0

  • Odor profile

    Floral 87.85%
    Sweet 67.7%
    Rose 66.94%
    Balsamic 48.8%
    Anisic 45.08%
    Hyacinth 44.07%
    Fruity 41.65%
    Honey 39.83%
    Green 38.12%
    Powdery 36.53%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.44 (neutral)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    273°C

    Flash point est.
    121.64 ˚C

  • Synonyms

    • 4-Methoxyphenethyl alcohol
    • 2-(4-Methoxyphenyl)ethanol
    • 702-23-8
    • 4-Methoxybenzeneethanol
    • Benzeneethanol, 4-methoxy-
    • p-Methoxyphenethyl alcohol
    • 2-(4-Methoxyphenyl)Ethan-1-Ol
    • 2-(p-Anisyl)ethanol
    • 3MWL5NZE9K
    • 2-(p-Methoxyphenyl)ethanol
    • 4-methoxyphenethanol
    • DTXSID5041518
    • 2-(p-Methoxyphenyl)ethyl alcohol
    • EINECS 211-866-6
    • MFCD00002900
    • 1-methoxy-4-(2-hydroxyethyl)benzene
    • NSC 408325
    • NSC-408325
    • 2-(4-methoxyphenyl)-ethanol
    • AI3-05522
    • 2-(4-Methoxy-phenyl)-ethanol
    • DTXCID3021518
    • METHOXYBENZENEETHANOL, 4-
    • PHENETHYL ALCOHOL, P-METHOXY-
    • P-(METHOXYPHENYL)ETHYL ALCOHOL
    • .BETA.-(P-METHOXYPHENYL)ETHANOL
    • 2-(4-METHOXYPHENYL)-1-ETHANOL
    • UNII-3MWL5NZE9K
    • 4-Methoxybenzenethanol
    • p-Methoxy-phenethyl alcohol
    • p-Methoxyphenylethyl alcohol
    • 4-(2-Hydroxyethyl)anisole
    • 4-methoxy-phenethyl alcohol
    • SCHEMBL77472
    • CHEMBL412890
    • 2-(p-methoxyphenyl)-ethan-1-ol
    • 4-Methoxyphenethyl alcohol, 99%
    • 4-Methoxy-.beta.-phenethyl alcohol
    • Tox21_300755
    • BBL027411
    • BETA-(P-METHOXYPHENYL)ETHANOL
    • NSC408325
    • STL373550
    • AKOS000280348
    • AB00284
    • CS-W004056
    • FM25329
    • HY-W004056
    • NCGC00248159-01
    • NCGC00254660-01
    • CAS-702-23-8
    • DS-14311
    • SY014083
    • DB-074275
    • M0889
    • NS00037023
    • EN300-133027
    • A836808
    • Q27257678
    • F0001-1817
    • Z397587494
    • 211-866-6

  • Applications

    4-Methoxyphenethyl alcohol (CAS 702-23-8) is used mainly as a fragrance ingredient in fine fragrances, cosmetics, and home/personal care, delivering a soft sweet floral profile with anisic/rose nuances that rounds out and extends floral accords (rose, jasmine, muguet, orange blossom) with good performance in soaps, shampoos, and detergents; it is also employed at trace levels in flavors where permitted to add anise–vanilla/floral nuances, serves as an intermediate for making fragrance esters and other derivatives (e.g., acetates, carbonates), functions as a versatile building block in pharmaceutical/agrochemical and materials research due to its reactive alcohol handle, and is used as a reference/spiking compound in GC/GC–MS method development and QC for aroma profiling and longevity studies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1895.62
    methanol 2208.07
    isopropanol 1190.33
    water 14.34
    ethyl acetate 863.47
    n-propanol 1336.83
    acetone 601.62
    n-butanol 974.64
    acetonitrile 1044.56
    DMF 944.81
    toluene 182.3
    isobutanol 644.95
    1,4-dioxane 2202.44
    methyl acetate 763.11
    THF 903.92
    2-butanone 475.53
    n-pentanol 486.57
    sec-butanol 637.18
    n-hexane 15.95
    ethylene glycol 887.97
    NMP 306.77
    cyclohexane 54.29
    DMSO 1563.73
    n-butyl acetate 188.09
    n-octanol 77.43
    chloroform 1213.3
    n-propyl acetate 233.69
    acetic acid 1410.08
    dichloromethane 1130.0
    cyclohexanone 435.13
    propylene glycol 857.82
    isopropyl acetate 205.74
    DMAc 582.88
    2-ethoxyethanol 1110.16
    isopentanol 468.46
    n-heptane 17.83
    ethyl formate 482.09
    1,2-dichloroethane 792.77
    n-hexanol 344.54
    2-methoxyethanol 2022.99
    isobutyl acetate 108.37
    tetrachloromethane 173.91
    n-pentyl acetate 72.62
    transcutol 1171.55
    n-heptanol 93.47
    ethylbenzene 54.46
    MIBK 137.96
    2-propoxyethanol 630.28
    tert-butanol 1327.53
    MTBE 437.85
    2-butoxyethanol 208.11
    propionic acid 863.4
    o-xylene 96.59
    formic acid 910.94
    diethyl ether 723.41
    m-xylene 90.27
    p-xylene 59.22
    chlorobenzene 228.51
    dimethyl carbonate 174.38
    n-octane 6.46
    formamide 1204.11
    cyclopentanone 381.2
    2-pentanone 313.32
    anisole 220.42
    cyclopentyl methyl ether 320.78
    gamma-butyrolactone 595.9
    1-methoxy-2-propanol 867.21
    pyridine 773.97
    3-pentanone 236.47
    furfural 585.05
    n-dodecane 6.09
    diethylene glycol 795.02
    diisopropyl ether 74.28
    tert-amyl alcohol 568.65
    acetylacetone 313.99
    n-hexadecane 6.81
    acetophenone 146.55
    methyl propionate 471.41
    isopentyl acetate 134.85
    trichloroethylene 1135.51
    n-nonanol 68.46
    cyclohexanol 506.1
    benzyl alcohol 247.67
    2-ethylhexanol 119.07
    isooctanol 64.62
    dipropyl ether 147.5
    1,2-dichlorobenzene 160.94
    ethyl lactate 131.67
    propylene carbonate 267.35
    n-methylformamide 938.17
    2-pentanol 397.13
    n-pentane 26.43
    1-propoxy-2-propanol 289.19
    1-methoxy-2-propyl acetate 206.3
    2-(2-methoxypropoxy) propanol 181.92
    mesitylene 51.62
    ε-caprolactone 402.76
    p-cymene 36.84
    epichlorohydrin 939.51
    1,1,1-trichloroethane 521.53
    2-aminoethanol 1263.76
    morpholine-4-carbaldehyde 734.47
    sulfolane 499.77
    2,2,4-trimethylpentane 14.94
    2-methyltetrahydrofuran 592.44
    n-hexyl acetate 101.42
    isooctane 10.82
    2-(2-butoxyethoxy)ethanol 280.77
    sec-butyl acetate 112.24
    tert-butyl acetate 191.28
    decalin 16.93
    glycerin 970.11
    diglyme 547.46
    acrylic acid 675.46
    isopropyl myristate 42.44
    n-butyric acid 871.16
    acetyl acetate 305.55
    di(2-ethylhexyl) phthalate 52.79
    ethyl propionate 187.7
    nitromethane 1588.81
    1,2-diethoxyethane 312.37
    benzonitrile 220.13
    trioctyl phosphate 36.66
    1-bromopropane 359.58
    gamma-valerolactone 702.05
    n-decanol 51.79
    triethyl phosphate 72.19
    4-methyl-2-pentanol 122.8
    propionitrile 641.25
    vinylene carbonate 332.28
    1,1,2-trichlorotrifluoroethane 761.11
    DMS 124.03
    cumene 36.53
    2-octanol 47.19
    2-hexanone 167.16
    octyl acetate 54.2
    limonene 60.05
    1,2-dimethoxyethane 934.02
    ethyl orthosilicate 74.36
    tributyl phosphate 47.34
    diacetone alcohol 280.09
    N,N-dimethylaniline 109.09
    acrylonitrile 742.86
    aniline 425.72
    1,3-propanediol 1470.94
    bromobenzene 195.46
    dibromomethane 655.56
    1,1,2,2-tetrachloroethane 821.15
    2-methyl-cyclohexyl acetate 91.14
    tetrabutyl urea 59.02
    diisobutyl methanol 62.29
    2-phenylethanol 178.04
    styrene 88.07
    dioctyl adipate 73.58
    dimethyl sulfate 225.65
    ethyl butyrate 138.39
    methyl lactate 248.66
    butyl lactate 79.85
    diethyl carbonate 109.17
    propanediol butyl ether 175.86
    triethyl orthoformate 103.58
    p-tert-butyltoluene 37.93
    methyl 4-tert-butylbenzoate 106.72
    morpholine 2296.44
    tert-butylamine 563.3
    n-dodecanol 41.52
    dimethoxymethane 667.68
    ethylene carbonate 312.88
    cyrene 162.54
    2-ethoxyethyl acetate 157.96
    2-ethylhexyl acetate 98.59
    1,2,4-trichlorobenzene 198.27
    4-methylpyridine 458.72
    dibutyl ether 83.38
    2,6-dimethyl-4-heptanol 62.29
    DEF 408.0
    dimethyl isosorbide 228.47
    tetrachloroethylene 597.34
    eugenol 125.13
    triacetin 129.37
    span 80 142.02
    1,4-butanediol 493.0
    1,1-dichloroethane 689.77
    2-methyl-1-pentanol 244.57
    methyl formate 594.99
    2-methyl-1-butanol 446.31
    n-decane 9.64
    butyronitrile 519.59
    3,7-dimethyl-1-octanol 76.29
    1-chlorooctane 42.26
    1-chlorotetradecane 18.32
    n-nonane 9.15
    undecane 7.31
    tert-butylcyclohexane 15.41
    cyclooctane 14.4
    cyclopentanol 448.38
    tetrahydropyran 1179.55
    tert-amyl methyl ether 230.59
    2,5,8-trioxanonane 370.46
    1-hexene 80.64
    2-isopropoxyethanol 462.22
    2,2,2-trifluoroethanol 395.39
    methyl butyrate 256.57

    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

Botanical

Name CAS Botanical Proportion
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 1.0%
Osmanthus concrete 1 (China) 68917-05-5 Osmanthus fragrans, variety Thunbergii (Mak.), fam. Oleaceae 4.5%
Osmanthus concrete 2 (China) 68917-05-5 Osmanthus fragrans, variety Latifolius Mak., fam. Oleaceae 1.6%
Osmanthus concrete 3 (China) 68917-05-5 Osmanthus fragrans, variety Aurantiacus (Mak.), fam. Oleaceae 1.6%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.5%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.01%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.01%