3-Phenoxy-1,2-propanediol

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  • Identifiers

    CAS number
    538-43-2

    Molecular formula
    C9H12O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 47.54%
    Fruity 47.0%
    Rose 41.06%
    Floral 40.74%
    Balsamic 35.24%
    Honey 30.5%
    Fresh 30.38%
    Odorless 25.56%
    Bitter 24.84%
    Almond 23.54%

     

    Flavor
    Sweet 74.42%
    Odorless 33.95%
    Fruity 33.88%
    Bitter 32.44%
    Creamy 31.11%
    Mild 30.51%
    Floral 29.28%
    Balsam 27.13%
    Musty 25.73%
    Rose 25.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.28 (neutral)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point

    • 163.11 ˚C est.

  • Synonyms

    • 3-PHENOXY-1,2-PROPANEDIOL
    • 538-43-2
    • Antodyne
    • Phenylglyceryl ether
    • 1,2-Propanediol, 3-phenoxy-
    • Phenol glyceryl ether
    • Antodyn
    • Phenol glycerol ether
    • 1-Phenoxy-2,3-propanediol
    • phenoxypropanediol
    • Glycerol alpha-monophenyl ether
    • Glycerol alpha-phenyl ether
    • U 27,462
    • 38D39W41IJ
    • NSC-406489
    • DTXSID90870597
    • PHENOXY PROPANEDIOL 816430
    • RefChem:861737
    • DTXCID00818304
    • 208-692-8
    • 3-Phenoxypropane-1,2-diol
    • Phenol-glycerinaether
    • 1-Phenylglycerol
    • 1-Fenoxy-2,3-propandiol
    • MFCD00004717
    • Glycerol .alpha.-phenyl ether
    • NSC 406489
    • Glycerol .alpha.-monophenyl ether
    • Phenyl-.alpha.-glycerol ether
    • 92768-70-2
    • Phenyl-alpha-glycerol ether
    • 3-Popa
    • alpha-Phenyl monoglyceryl ether
    • Phenol-glycerinaether [German]
    • phenyl glyceryl ether
    • 1-Fenoxy-2,3-propandiol [Czech]
    • EINECS 208-692-8
    • BRN 1869155
    • phenylglycerol
    • 3-phenoxy-propane-1,2-diol
    • 1,2-Propanediol,3-phenoxy-
    • UNII-38D39W41IJ
    • 1,2-Dihydroxy-3-phenoxypropane
    • 3-(Phenyloxy)-2-hydroxypropylagarose
    • 1, 3-phenoxy-
    • TP1/Phenyl glycidyl ether
    • WLN: Q1YQ1OR
    • 3-Phenoxy-1,2-propandiol
    • SCHEMBL117951
    • 3-(phenoxy)propane-1,2-diol
    • orb3029375
    • SCHEMBL1592831
    • SCHEMBL3066621
    • SCHEMBL5655717
    • SCHEMBL6601291
    • SCHEMBL17024109
    • FNQIYTUXOKTMDM-UHFFFAOYSA-
    • PHENYLGLYCERYL ETHER [MI]
    • (+/-)-PHENOXYPROPANEDIOL
    • .alpha.-Phenyl monoglyceryl ether
    • EINECS 240-413-5
    • NSC406489
    • PHENOXYPROPANEDIOL, (+/-)-
    • STK801832
    • 3-Phenoxy-1,2-propanediol(>90%)
    • AKOS015889994
    • SB47006
    • 1-PHENOXYMETHYL-1,2-ETHANEDIOL
    • AS-17522
    • SY051622
    • DB-063294
    • DB-312335
    • NS00043102
    • P1335
    • ST50405118
    • D92114
    • EN300-266570
    • F001784
    • Q21547178
    • InChI=1/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
    • 538-43-2

  • Applications

    3-Phenoxy-1,2-propanediol (CAS 538-43-2) is typically used as a chemical intermediate in fragrance chemistry, enabling the synthesis of aroma compounds and related derivatives; it can also function as a solvent or co-solvent in cosmetics and personal care products due to its diol functionality and the hydrophobic phenoxy group. In the polymer and plastics sector, it serves as a diol chain extender or reactive monomer for polyurethanes and polyesters, imparting flexibility and aromatic character. In coatings and inks, it can act as a polyol component to improve crosslinking and film properties. It may also appear as an intermediate in adhesive formulations, where the diol functionality supports resin curing. Use is subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 655.02
    methanol 1387.11
    isopropanol 341.96
    water 35.49
    ethyl acetate 139.43
    n-propanol 347.87
    acetone 245.7
    n-butanol 246.4
    acetonitrile 172.04
    DMF 467.24
    toluene 13.61
    isobutanol 172.85
    1,4-dioxane 372.17
    methyl acetate 156.12
    THF 369.92
    2-butanone 115.32
    n-pentanol 131.06
    sec-butanol 197.37
    n-hexane 2.0
    ethylene glycol 645.83
    NMP 175.38
    cyclohexane 8.59
    DMSO 1629.74
    n-butyl acetate 66.87
    n-octanol 41.49
    chloroform 63.22
    n-propyl acetate 92.78
    acetic acid 972.83
    dichloromethane 86.75
    cyclohexanone 146.12
    propylene glycol 523.96
    isopropyl acetate 56.71
    DMAc 417.87
    2-ethoxyethanol 509.49
    isopentanol 151.51
    n-heptane 5.43
    ethyl formate 154.8
    1,2-dichloroethane 75.53
    n-hexanol 100.71
    2-methoxyethanol 1021.26
    isobutyl acetate 47.01
    tetrachloromethane 8.22
    n-pentyl acetate 31.34
    transcutol 888.48
    n-heptanol 45.03
    ethylbenzene 10.72
    MIBK 59.45
    2-propoxyethanol 248.51
    tert-butanol 382.38
    MTBE 95.42
    2-butoxyethanol 134.51
    propionic acid 324.69
    o-xylene 17.38
    formic acid 820.85
    diethyl ether 72.46
    m-xylene 14.13
    p-xylene 13.79
    chlorobenzene 21.67
    dimethyl carbonate 66.53
    n-octane 2.14
    formamide 1035.49
    cyclopentanone 182.61
    2-pentanone 89.44
    anisole 60.24
    cyclopentyl methyl ether 93.32
    gamma-butyrolactone 262.28
    1-methoxy-2-propanol 454.8
    pyridine 122.1
    3-pentanone 50.36
    furfural 263.99
    n-dodecane 2.19
    diethylene glycol 389.19
    diisopropyl ether 16.55
    tert-amyl alcohol 229.12
    acetylacetone 133.4
    n-hexadecane 2.3
    acetophenone 71.99
    methyl propionate 112.94
    isopentyl acetate 58.93
    trichloroethylene 136.8
    n-nonanol 36.59
    cyclohexanol 134.27
    benzyl alcohol 90.47
    2-ethylhexanol 48.48
    isooctanol 37.05
    dipropyl ether 46.72
    1,2-dichlorobenzene 25.46
    ethyl lactate 91.9
    propylene carbonate 132.72
    n-methylformamide 444.82
    2-pentanol 107.4
    n-pentane 2.9
    1-propoxy-2-propanol 155.7
    1-methoxy-2-propyl acetate 90.61
    2-(2-methoxypropoxy) propanol 136.63
    mesitylene 11.82
    ε-caprolactone 137.45
    p-cymene 14.46
    epichlorohydrin 271.85
    1,1,1-trichloroethane 28.64
    2-aminoethanol 673.57
    morpholine-4-carbaldehyde 335.42
    sulfolane 347.42
    2,2,4-trimethylpentane 3.73
    2-methyltetrahydrofuran 155.3
    n-hexyl acetate 49.72
    isooctane 2.75
    2-(2-butoxyethoxy)ethanol 202.64
    sec-butyl acetate 45.77
    tert-butyl acetate 65.14
    decalin 4.19
    glycerin 688.44
    diglyme 405.25
    acrylic acid 320.0
    isopropyl myristate 23.31
    n-butyric acid 311.05
    acetyl acetate 82.98
    di(2-ethylhexyl) phthalate 32.53
    ethyl propionate 63.64
    nitromethane 896.47
    1,2-diethoxyethane 107.06
    benzonitrile 57.58
    trioctyl phosphate 24.24
    1-bromopropane 22.03
    gamma-valerolactone 266.47
    n-decanol 28.36
    triethyl phosphate 37.76
    4-methyl-2-pentanol 53.17
    propionitrile 93.52
    vinylene carbonate 120.9
    1,1,2-trichlorotrifluoroethane 327.75
    DMS 52.94
    cumene 10.85
    2-octanol 21.63
    2-hexanone 64.05
    octyl acetate 31.02
    limonene 22.76
    1,2-dimethoxyethane 454.12
    ethyl orthosilicate 37.0
    tributyl phosphate 29.76
    diacetone alcohol 155.95
    N,N-dimethylaniline 45.56
    acrylonitrile 159.64
    aniline 65.86
    1,3-propanediol 651.76
    bromobenzene 15.22
    dibromomethane 39.69
    1,1,2,2-tetrachloroethane 106.66
    2-methyl-cyclohexyl acetate 51.08
    tetrabutyl urea 44.16
    diisobutyl methanol 32.18
    2-phenylethanol 63.11
    styrene 13.87
    dioctyl adipate 49.71
    dimethyl sulfate 123.87
    ethyl butyrate 62.29
    methyl lactate 151.06
    butyl lactate 57.3
    diethyl carbonate 47.11
    propanediol butyl ether 163.32
    triethyl orthoformate 50.45
    p-tert-butyltoluene 14.66
    methyl 4-tert-butylbenzoate 69.92
    morpholine 453.92
    tert-butylamine 131.02
    n-dodecanol 22.78
    dimethoxymethane 282.75
    ethylene carbonate 104.61
    cyrene 121.11
    2-ethoxyethyl acetate 64.39
    2-ethylhexyl acetate 37.05
    1,2,4-trichlorobenzene 36.06
    4-methylpyridine 71.58
    dibutyl ether 33.65
    2,6-dimethyl-4-heptanol 32.18
    DEF 168.44
    dimethyl isosorbide 158.67
    tetrachloroethylene 72.8
    eugenol 82.61
    triacetin 88.97
    span 80 104.9
    1,4-butanediol 255.27
    1,1-dichloroethane 34.6
    2-methyl-1-pentanol 98.64
    methyl formate 299.73
    2-methyl-1-butanol 140.42
    n-decane 3.11
    butyronitrile 88.52
    3,7-dimethyl-1-octanol 44.45
    1-chlorooctane 12.09
    1-chlorotetradecane 6.04
    n-nonane 2.83
    undecane 2.49
    tert-butylcyclohexane 3.7
    cyclooctane 3.46
    cyclopentanol 157.5
    tetrahydropyran 158.71
    tert-amyl methyl ether 69.65
    2,5,8-trioxanonane 276.67
    1-hexene 9.03
    2-isopropoxyethanol 239.5
    2,2,2-trifluoroethanol 255.0
    methyl butyrate 104.81

    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