3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol

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  • Identifiers

    CAS number
    27391-18-0

    Molecular formula
    C10H14O4

    SMILES
    COC1=C(C=CC(=C1)CC(CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 62.55%
    Sweet 53.1%
    Odorless 42.22%
    Creamy 37.93%
    Balsamic 36.2%
    Phenolic 33.63%
    Milky 31.38%
    Powdery 28.03%
    Spicy 26.42%
    Smoky 25.36%

     

    Flavor
    Sweet 65.34%
    Odorless 40.86%
    Bitter 36.26%
    Mild 35.55%
    Vanilla 29.96%
    Creamy 28.39%
    Fruity 26.22%
    Powdery 25.17%
    Sweet-like 24.54%
    Phenolic 23.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    9.16 (weak base)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    405°C

    Flash point

    • 187.84 ˚C est.

  • Synonyms

    • 27391-18-0
    • Vanillyl glycol
    • 4-Hydroxy-3-methoxyphenyl-1-propane-1,2-diol
    • 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol
    • RefChem:92449
    • GlyTouCan:G44757AD
    • G44757AD
    • 3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
    • 1,2-Propanediol, 3-(4-hydroxy-3-methoxyphenyl)-
    • orb1991598
    • SCHEMBL15240954
    • SCHEMBL31231445
    • DTXSID20950078
    • CHEBI:125366
    • AKOS040735157
    • DA-25168
    • H63692
    • BRD-A10396145-001-01-1
    • Q27215721
    • 27391-18-0

  • Applications

    3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol (CAS 27391-18-0) is a phenolic glycerol ether derived from lignin that is commonly used as an intermediate and building block in downstream syntheses. In fragrance and aroma applications, it is used as a fragrance precursor or building block for aroma compounds, enabling adjustment of scent profiles. In cosmetics and personal care, it may serve as a fragrance-building intermediate or odor-modifying component, subject to purification and regulatory considerations. In polymer and coatings technologies, it can function as a biobased polyol or reactive intermediate for polyurethane and epoxy formulations, contributing to crosslinking or material properties after functionalization. In industrial manufacturing, it is evaluated as a biobased chemical precursor for specialty resins and chemicals, depending on purity and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.77
    methanol 273.25
    isopropanol 37.78
    water 23.1
    ethyl acetate 18.23
    n-propanol 51.43
    acetone 43.88
    n-butanol 29.3
    acetonitrile 10.06
    DMF 344.29
    toluene 1.83
    isobutanol 22.43
    1,4-dioxane 53.49
    methyl acetate 22.81
    THF 93.56
    2-butanone 19.85
    n-pentanol 15.5
    sec-butanol 25.71
    n-hexane 0.27
    ethylene glycol 325.84
    NMP 181.22
    cyclohexane 0.7
    DMSO 858.56
    n-butyl acetate 11.2
    n-octanol 13.8
    chloroform 4.28
    n-propyl acetate 13.36
    acetic acid 284.38
    dichloromethane 4.86
    cyclohexanone 35.88
    propylene glycol 184.42
    isopropyl acetate 10.53
    DMAc 265.38
    2-ethoxyethanol 167.84
    isopentanol 24.81
    n-heptane 0.8
    ethyl formate 27.51
    1,2-dichloroethane 6.88
    n-hexanol 21.23
    2-methoxyethanol 331.92
    isobutyl acetate 7.1
    tetrachloromethane 2.35
    n-pentyl acetate 8.67
    transcutol 204.65
    n-heptanol 14.97
    ethylbenzene 2.07
    MIBK 16.28
    2-propoxyethanol 83.58
    tert-butanol 100.02
    MTBE 17.85
    2-butoxyethanol 45.45
    propionic acid 78.43
    o-xylene 4.02
    formic acid 562.19
    diethyl ether 6.64
    m-xylene 3.59
    p-xylene 2.35
    chlorobenzene 3.03
    dimethyl carbonate 29.3
    n-octane 0.5
    formamide 578.77
    cyclopentanone 65.63
    2-pentanone 16.59
    anisole 13.99
    cyclopentyl methyl ether 22.15
    gamma-butyrolactone 110.03
    1-methoxy-2-propanol 150.4
    pyridine 13.26
    3-pentanone 9.72
    furfural 100.32
    n-dodecane 0.54
    diethylene glycol 180.74
    diisopropyl ether 3.11
    tert-amyl alcohol 59.14
    acetylacetone 45.14
    n-hexadecane 0.58
    acetophenone 21.68
    methyl propionate 27.86
    isopentyl acetate 12.62
    trichloroethylene 16.2
    n-nonanol 12.38
    cyclohexanol 24.8
    benzyl alcohol 24.47
    2-ethylhexanol 11.33
    isooctanol 12.54
    dipropyl ether 7.09
    1,2-dichlorobenzene 5.49
    ethyl lactate 36.19
    propylene carbonate 47.75
    n-methylformamide 208.16
    2-pentanol 14.52
    n-pentane 0.31
    1-propoxy-2-propanol 49.2
    1-methoxy-2-propyl acetate 30.88
    2-(2-methoxypropoxy) propanol 56.26
    mesitylene 3.46
    ε-caprolactone 42.75
    p-cymene 4.28
    epichlorohydrin 66.3
    1,1,1-trichloroethane 4.88
    2-aminoethanol 261.65
    morpholine-4-carbaldehyde 180.38
    sulfolane 223.59
    2,2,4-trimethylpentane 0.76
    2-methyltetrahydrofuran 31.84
    n-hexyl acetate 15.1
    isooctane 0.58
    2-(2-butoxyethoxy)ethanol 68.87
    sec-butyl acetate 7.56
    tert-butyl acetate 23.24
    decalin 0.74
    glycerin 379.55
    diglyme 126.36
    acrylic acid 108.06
    isopropyl myristate 6.83
    n-butyric acid 57.32
    acetyl acetate 17.03
    di(2-ethylhexyl) phthalate 13.6
    ethyl propionate 12.33
    nitromethane 279.36
    1,2-diethoxyethane 18.87
    benzonitrile 11.45
    trioctyl phosphate 10.58
    1-bromopropane 1.74
    gamma-valerolactone 120.68
    n-decanol 9.31
    triethyl phosphate 13.37
    4-methyl-2-pentanol 11.64
    propionitrile 8.75
    vinylene carbonate 39.79
    1,1,2-trichlorotrifluoroethane 147.12
    DMS 19.51
    cumene 2.64
    2-octanol 8.24
    2-hexanone 11.02
    octyl acetate 10.11
    limonene 6.24
    1,2-dimethoxyethane 116.21
    ethyl orthosilicate 11.63
    tributyl phosphate 11.03
    diacetone alcohol 74.88
    N,N-dimethylaniline 14.29
    acrylonitrile 21.13
    aniline 10.62
    1,3-propanediol 206.16
    bromobenzene 2.05
    dibromomethane 2.63
    1,1,2,2-tetrachloroethane 14.95
    2-methyl-cyclohexyl acetate 15.48
    tetrabutyl urea 17.34
    diisobutyl methanol 8.86
    2-phenylethanol 21.04
    styrene 2.08
    dioctyl adipate 15.12
    dimethyl sulfate 84.31
    ethyl butyrate 11.38
    methyl lactate 72.33
    butyl lactate 21.31
    diethyl carbonate 10.38
    propanediol butyl ether 59.18
    triethyl orthoformate 12.09
    p-tert-butyltoluene 4.9
    methyl 4-tert-butylbenzoate 33.39
    morpholine 88.38
    tert-butylamine 22.72
    n-dodecanol 7.08
    dimethoxymethane 103.39
    ethylene carbonate 29.76
    cyrene 73.71
    2-ethoxyethyl acetate 20.24
    2-ethylhexyl acetate 8.02
    1,2,4-trichlorobenzene 8.28
    4-methylpyridine 10.99
    dibutyl ether 5.99
    2,6-dimethyl-4-heptanol 8.86
    DEF 47.26
    dimethyl isosorbide 75.83
    tetrachloroethylene 14.67
    eugenol 37.13
    triacetin 29.73
    span 80 41.31
    1,4-butanediol 89.33
    1,1-dichloroethane 2.59
    2-methyl-1-pentanol 15.34
    methyl formate 136.94
    2-methyl-1-butanol 22.31
    n-decane 0.8
    butyronitrile 7.08
    3,7-dimethyl-1-octanol 12.99
    1-chlorooctane 3.31
    1-chlorotetradecane 1.62
    n-nonane 0.68
    undecane 0.64
    tert-butylcyclohexane 0.76
    cyclooctane 0.49
    cyclopentanol 34.93
    tetrahydropyran 15.63
    tert-amyl methyl ether 17.35
    2,5,8-trioxanonane 96.54
    1-hexene 0.93
    2-isopropoxyethanol 70.95
    2,2,2-trifluoroethanol 126.23
    methyl butyrate 19.16

    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