1,2,3-Propanetriol, cyclic ether with (2-methylphenyl)methanediol

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  • Identifiers

    CAS number
    1333-09-1

    Molecular formula
    C11H18O5

    SMILES
    CC1=CC=CC=C1C(O)O.C(C(CO)O)O

  • Odor profile

    Fragrance
    Floral 64.84%
    Green 52.75%
    Sweet 48.69%
    Phenolic 44.24%
    Fruity 40.46%
    Almond 39.73%
    Rose 38.66%
    Balsamic 35.58%
    Bitter 33.75%
    Earthy 32.58%

     

    Flavor
    Sweet 76.32%
    Floral 46.14%
    Fruity 40.58%
    Mild 39.8%
    Phenolic 39.73%
    Powdery 36.9%
    Balsam 30.44%
    Hawthorn 29.95%
    Bitter 28.44%
    Flower 27.81%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.34 (weak base)

    Molecular weight
    230.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    269°C

    Flash point

    • 129.01 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in organic solvents, most oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 1333-09-1
    • FEMA No. 3067
    • 1,2,3-Propanetriol, cyclic ether with (2-methylphenyl)methanediol
    • FEMA 3067
    • (2-methylphenyl)methanediol;propane-1,2,3-triol
    • SCHEMBL15914143
    • DTXSID70928045
    • WNARAGIYGCZQQM-UHFFFAOYSA-N
    • ALDEHIDO PARATOLUDICO GLICERIL ACETAL
    • NS00124314
    • 603-732-4

  • Applications

    For the compound 1,2,3-Propanetriol, cyclic ether with (2-methylphenyl)methanediol (CAS 1333-09-1), real-world applications are often centered on being an intermediate and processing aid in multiple industries; in polymer and plastics manufacturing it can act as a reactive diluent or resin modifier to adjust viscosity and flexibility, and may participate in crosslinking systems in coatings and adhesives. In coatings, inks, and specialty cleaners it can serve as a solvent or co-solvent to improve formulation handling and solubility. In cosmetics and personal care it is evaluated as a formulation intermediate or processing aid in glycerol-derived products. In industrial manufacturing it is used as a building block for more complex molecules and specialty chemicals. Use is typically governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 562.99
    methanol 727.92
    isopropanol 324.06
    water 13.71
    ethyl acetate 242.24
    n-propanol 398.79
    acetone 415.78
    n-butanol 258.33
    acetonitrile 434.4
    DMF 643.19
    toluene 45.33
    isobutanol 202.08
    1,4-dioxane 1247.91
    methyl acetate 271.33
    THF 1268.51
    2-butanone 257.04
    n-pentanol 189.31
    sec-butanol 206.96
    n-hexane 23.08
    ethylene glycol 172.71
    NMP 492.56
    cyclohexane 15.51
    DMSO 1230.58
    n-butyl acetate 110.11
    n-octanol 113.33
    chloroform 184.6
    n-propyl acetate 124.81
    acetic acid 260.08
    dichloromethane 164.08
    cyclohexanone 303.41
    propylene glycol 105.95
    isopropyl acetate 113.81
    DMAc 152.22
    2-ethoxyethanol 325.87
    isopentanol 151.01
    n-heptane 22.99
    ethyl formate 157.51
    1,2-dichloroethane 184.3
    n-hexanol 228.45
    2-methoxyethanol 501.49
    isobutyl acetate 70.49
    tetrachloromethane 52.52
    n-pentyl acetate 77.22
    transcutol 320.14
    n-heptanol 121.78
    ethylbenzene 29.4
    MIBK 138.3
    2-propoxyethanol 372.17
    tert-butanol 321.76
    MTBE 190.38
    2-butoxyethanol 184.34
    propionic acid 243.78
    o-xylene 36.43
    formic acid 224.43
    diethyl ether 349.23
    m-xylene 48.05
    p-xylene 32.39
    chlorobenzene 62.84
    dimethyl carbonate 104.79
    n-octane 12.46
    formamide 342.45
    cyclopentanone 552.42
    2-pentanone 240.53
    anisole 102.8
    cyclopentyl methyl ether 353.41
    gamma-butyrolactone 654.81
    1-methoxy-2-propanol 346.13
    pyridine 211.71
    3-pentanone 133.43
    furfural 273.89
    n-dodecane 9.78
    diethylene glycol 309.62
    diisopropyl ether 72.48
    tert-amyl alcohol 177.44
    acetylacetone 215.35
    n-hexadecane 10.69
    acetophenone 77.04
    methyl propionate 190.39
    isopentyl acetate 84.76
    trichloroethylene 206.56
    n-nonanol 95.58
    cyclohexanol 154.69
    benzyl alcohol 79.92
    2-ethylhexanol 96.11
    isooctanol 91.57
    dipropyl ether 134.38
    1,2-dichlorobenzene 51.96
    ethyl lactate 69.29
    propylene carbonate 198.24
    n-methylformamide 443.52
    2-pentanol 158.94
    n-pentane 20.32
    1-propoxy-2-propanol 199.65
    1-methoxy-2-propyl acetate 125.86
    2-(2-methoxypropoxy) propanol 105.77
    mesitylene 36.93
    ε-caprolactone 245.61
    p-cymene 28.81
    epichlorohydrin 551.64
    1,1,1-trichloroethane 127.2
    2-aminoethanol 278.29
    morpholine-4-carbaldehyde 406.34
    sulfolane 667.65
    2,2,4-trimethylpentane 11.32
    2-methyltetrahydrofuran 591.69
    n-hexyl acetate 111.86
    isooctane 13.79
    2-(2-butoxyethoxy)ethanol 178.93
    sec-butyl acetate 68.28
    tert-butyl acetate 138.95
    decalin 12.1
    glycerin 197.92
    diglyme 279.33
    acrylic acid 187.65
    isopropyl myristate 51.11
    n-butyric acid 215.21
    acetyl acetate 93.75
    di(2-ethylhexyl) phthalate 39.75
    ethyl propionate 106.96
    nitromethane 506.51
    1,2-diethoxyethane 127.62
    benzonitrile 77.57
    trioctyl phosphate 44.58
    1-bromopropane 108.02
    gamma-valerolactone 534.43
    n-decanol 73.04
    triethyl phosphate 41.4
    4-methyl-2-pentanol 86.15
    propionitrile 240.64
    vinylene carbonate 149.5
    1,1,2-trichlorotrifluoroethane 214.4
    DMS 72.28
    cumene 27.53
    2-octanol 79.52
    2-hexanone 147.28
    octyl acetate 69.0
    limonene 44.85
    1,2-dimethoxyethane 423.94
    ethyl orthosilicate 41.71
    tributyl phosphate 41.36
    diacetone alcohol 190.31
    N,N-dimethylaniline 67.13
    acrylonitrile 251.2
    aniline 93.14
    1,3-propanediol 297.56
    bromobenzene 47.78
    dibromomethane 120.54
    1,1,2,2-tetrachloroethane 168.27
    2-methyl-cyclohexyl acetate 66.81
    tetrabutyl urea 56.77
    diisobutyl methanol 58.63
    2-phenylethanol 102.61
    styrene 31.69
    dioctyl adipate 57.2
    dimethyl sulfate 172.39
    ethyl butyrate 81.01
    methyl lactate 118.13
    butyl lactate 63.48
    diethyl carbonate 47.59
    propanediol butyl ether 118.11
    triethyl orthoformate 54.45
    p-tert-butyltoluene 31.77
    methyl 4-tert-butylbenzoate 97.81
    morpholine 965.97
    tert-butylamine 171.76
    n-dodecanol 55.2
    dimethoxymethane 450.91
    ethylene carbonate 137.01
    cyrene 114.59
    2-ethoxyethyl acetate 98.49
    2-ethylhexyl acetate 62.23
    1,2,4-trichlorobenzene 61.96
    4-methylpyridine 152.35
    dibutyl ether 81.45
    2,6-dimethyl-4-heptanol 58.63
    DEF 185.82
    dimethyl isosorbide 179.17
    tetrachloroethylene 125.59
    eugenol 99.5
    triacetin 78.55
    span 80 103.15
    1,4-butanediol 135.36
    1,1-dichloroethane 161.28
    2-methyl-1-pentanol 109.46
    methyl formate 311.87
    2-methyl-1-butanol 137.37
    n-decane 16.76
    butyronitrile 208.01
    3,7-dimethyl-1-octanol 72.15
    1-chlorooctane 59.66
    1-chlorotetradecane 23.0
    n-nonane 16.43
    undecane 12.51
    tert-butylcyclohexane 14.75
    cyclooctane 8.19
    cyclopentanol 277.6
    tetrahydropyran 667.48
    tert-amyl methyl ether 111.88
    2,5,8-trioxanonane 198.93
    1-hexene 73.62
    2-isopropoxyethanol 193.74
    2,2,2-trifluoroethanol 124.93
    methyl butyrate 128.91

    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