Phenoxymethanol

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  • Identifiers

    CAS number
    13138-67-5

    Molecular formula
    C7H8O2

    SMILES
    C1=CC=C(C=C1)OCO

  • Odor profile

    Fragrance
    Floral 79.16%
    Green 64.38%
    Rose 64.19%
    Sweet 56.63%
    Hyacinth 47.54%
    Balsamic 43.1%
    Phenolic 40.1%
    Fresh 37.96%
    Metallic 36.42%
    Leafy 34.05%

     

    Flavor
    Floral 64.65%
    Sweet 63.97%
    Rose 52.77%
    Bitter 46.74%
    Fruity 45.73%
    Honey 44.55%
    Balsam 43.3%
    Hyacinth 43.19%
    Anise 37.98%
    Phenolic 37.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.84 (neutral)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 107.35 ˚C est.

  • Synonyms

    • phenoxymethanol
    • DTXSID30593218
    • 13138-67-5
    • Hydroxymethoxybenzol
    • SCHEMBL25259
    • DTXCID00543982

  • Applications

    Phenoxymethanol is used as an intermediate in organic synthesis to prepare ethers and other derivatives; it can also function as a solvent or processing aid in coatings, inks, and adhesives formulations; in the fragrance industry it may serve as a fragrance intermediate or odor precursor; in polymer and plastics applications it can act as a monomer precursor or reactive diluent for certain formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1372.85
    methanol 1405.52
    isopropanol 909.12
    water 11.37
    ethyl acetate 379.06
    n-propanol 919.94
    acetone 788.98
    n-butanol 594.84
    acetonitrile 936.47
    DMF 1549.76
    toluene 89.94
    isobutanol 535.42
    1,4-dioxane 1075.73
    methyl acetate 541.45
    THF 886.26
    2-butanone 498.78
    n-pentanol 303.39
    sec-butanol 546.36
    n-hexane 30.03
    ethylene glycol 696.62
    NMP 743.94
    cyclohexane 65.5
    DMSO 3032.64
    n-butyl acetate 193.61
    n-octanol 164.88
    chloroform 913.33
    n-propyl acetate 240.97
    acetic acid 891.59
    dichloromethane 1234.25
    cyclohexanone 516.92
    propylene glycol 541.25
    isopropyl acetate 160.05
    DMAc 801.95
    2-ethoxyethanol 544.25
    isopentanol 300.21
    n-heptane 53.61
    ethyl formate 393.25
    1,2-dichloroethane 721.82
    n-hexanol 296.25
    2-methoxyethanol 1108.84
    isobutyl acetate 115.51
    tetrachloromethane 126.92
    n-pentyl acetate 117.16
    transcutol 782.02
    n-heptanol 145.48
    ethylbenzene 63.36
    MIBK 169.55
    2-propoxyethanol 452.75
    tert-butanol 788.65
    MTBE 296.93
    2-butoxyethanol 240.83
    propionic acid 693.77
    o-xylene 84.65
    formic acid 316.98
    diethyl ether 404.57
    m-xylene 75.91
    p-xylene 77.91
    chlorobenzene 172.5
    dimethyl carbonate 218.42
    n-octane 19.96
    formamide 724.05
    cyclopentanone 663.63
    2-pentanone 327.31
    anisole 210.06
    cyclopentyl methyl ether 308.68
    gamma-butyrolactone 834.73
    1-methoxy-2-propanol 668.07
    pyridine 495.1
    3-pentanone 256.98
    furfural 552.63
    n-dodecane 21.1
    diethylene glycol 492.09
    diisopropyl ether 80.03
    tert-amyl alcohol 445.1
    acetylacetone 320.55
    n-hexadecane 22.79
    acetophenone 181.63
    methyl propionate 382.09
    isopentyl acetate 134.44
    trichloroethylene 909.44
    n-nonanol 139.36
    cyclohexanol 362.07
    benzyl alcohol 187.16
    2-ethylhexanol 146.53
    isooctanol 111.79
    dipropyl ether 229.66
    1,2-dichlorobenzene 168.96
    ethyl lactate 170.67
    propylene carbonate 371.96
    n-methylformamide 947.7
    2-pentanol 299.24
    n-pentane 46.01
    1-propoxy-2-propanol 307.93
    1-methoxy-2-propyl acetate 187.18
    2-(2-methoxypropoxy) propanol 223.31
    mesitylene 56.46
    ε-caprolactone 384.1
    p-cymene 62.48
    epichlorohydrin 862.98
    1,1,1-trichloroethane 402.52
    2-aminoethanol 863.25
    morpholine-4-carbaldehyde 729.49
    sulfolane 1099.84
    2,2,4-trimethylpentane 20.88
    2-methyltetrahydrofuran 562.35
    n-hexyl acetate 180.68
    isooctane 18.36
    2-(2-butoxyethoxy)ethanol 308.99
    sec-butyl acetate 107.6
    tert-butyl acetate 165.48
    decalin 26.95
    glycerin 598.67
    diglyme 636.0
    acrylic acid 570.96
    isopropyl myristate 94.67
    n-butyric acid 539.74
    acetyl acetate 201.7
    di(2-ethylhexyl) phthalate 83.1
    ethyl propionate 198.67
    nitromethane 1352.52
    1,2-diethoxyethane 229.26
    benzonitrile 217.66
    trioctyl phosphate 78.3
    1-bromopropane 344.91
    gamma-valerolactone 640.02
    n-decanol 114.86
    triethyl phosphate 95.25
    4-methyl-2-pentanol 121.88
    propionitrile 587.02
    vinylene carbonate 344.19
    1,1,2-trichlorotrifluoroethane 553.06
    DMS 156.22
    cumene 53.37
    2-octanol 96.1
    2-hexanone 216.59
    octyl acetate 121.7
    limonene 100.78
    1,2-dimethoxyethane 757.34
    ethyl orthosilicate 88.46
    tributyl phosphate 81.77
    diacetone alcohol 282.16
    N,N-dimethylaniline 143.71
    acrylonitrile 716.63
    aniline 218.93
    1,3-propanediol 778.74
    bromobenzene 165.5
    dibromomethane 734.82
    1,1,2,2-tetrachloroethane 684.27
    2-methyl-cyclohexyl acetate 119.35
    tetrabutyl urea 126.61
    diisobutyl methanol 93.51
    2-phenylethanol 154.12
    styrene 87.96
    dioctyl adipate 134.6
    dimethyl sulfate 345.66
    ethyl butyrate 190.53
    methyl lactate 268.69
    butyl lactate 129.32
    diethyl carbonate 134.69
    propanediol butyl ether 244.62
    triethyl orthoformate 121.99
    p-tert-butyltoluene 60.16
    methyl 4-tert-butylbenzoate 179.94
    morpholine 1098.14
    tert-butylamine 398.3
    n-dodecanol 96.06
    dimethoxymethane 688.44
    ethylene carbonate 298.43
    cyrene 223.05
    2-ethoxyethyl acetate 161.3
    2-ethylhexyl acetate 97.73
    1,2,4-trichlorobenzene 185.53
    4-methylpyridine 329.09
    dibutyl ether 157.18
    2,6-dimethyl-4-heptanol 93.51
    DEF 467.58
    dimethyl isosorbide 316.1
    tetrachloroethylene 420.3
    eugenol 194.38
    triacetin 195.0
    span 80 206.35
    1,4-butanediol 339.68
    1,1-dichloroethane 613.72
    2-methyl-1-pentanol 178.99
    methyl formate 616.87
    2-methyl-1-butanol 320.53
    n-decane 31.0
    butyronitrile 427.46
    3,7-dimethyl-1-octanol 129.33
    1-chlorooctane 106.2
    1-chlorotetradecane 50.34
    n-nonane 30.87
    undecane 24.49
    tert-butylcyclohexane 25.28
    cyclooctane 20.21
    cyclopentanol 496.54
    tetrahydropyran 708.88
    tert-amyl methyl ether 188.87
    2,5,8-trioxanonane 452.69
    1-hexene 103.86
    2-isopropoxyethanol 310.87
    2,2,2-trifluoroethanol 271.9
    methyl butyrate 283.67

    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