Propanediol

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  • Identifiers

    CAS number
    26264-14-2

    Molecular formula
    C3H8O2

    SMILES
    CCC(O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.88%
    Fruity 43.83%
    Alcoholic 37.49%
    Ethereal 35.43%
    Fermented 30.47%
    Sharp 28.94%
    Pungent 28.35%
    Fresh 24.05%
    Green 23.55%
    Winey 19.94%

     

    Flavor
    Bitter 61.31%
    Odorless 55.13%
    Alcoholic 47.44%
    Pungent 35.34%
    Sweet 32.02%
    Musty 30.02%
    Fusel 26.54%
    Very slight 26.18%
    Alcohol 26.13%
    Fruit 24.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    9.09 (weak base)

    Molecular weight
    76.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    144°C

    Flash point

    • 77.39 ˚C est.

  • Synonyms

    • propanediol
    • 26264-14-2
    • Propandiol
    • DTXSID9074939
    • RefChem:9087
    • DTXCID7037476
    • Coupling Lavender Relax Premium massagelotion
    • Coupling Chamomile Relax Premium massagelotion
    • 1,3-PROPANEDIOL (USP-RS)
    • FEMA NO. 4753
    • NSC-65426
    • propane-1,1-diol
    • Propanediol (8CI,9CI)
    • n-propandiol
    • propane diol
    • SCHEMBL5210
    • SCHEMBL5211
    • SCHEMBL16959
    • SCHEMBL130701
    • SCHEMBL1070254
    • SCHEMBL2897965
    • SCHEMBL3480658
    • SCHEMBL5211752
    • SCHEMBL18788395
    • AKOS032949540
    • NS00125718
    • 26264-14-2

  • Applications

    Propanediol is widely used as a chemical intermediate for polymer production, notably as a monomer for polytrimethylene terephthalate (PTT) and related polyesters, and as a polyol in polyurethane formulations; it also acts as a versatile solvent and humectant in cosmetics and personal care products, and as a processing aid or reactive diluent in coatings, inks, and cleaning formulations; propanediol can serve as an intermediate in the synthesis of specialty chemicals and fragrance compounds; in some formulations it functions as a plasticizer or crosslinking aid, depending on the chemistry and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 357.87
    methanol 683.89
    isopropanol 207.09
    water 1234.59
    ethyl acetate 26.23
    n-propanol 220.93
    acetone 85.47
    n-butanol 185.93
    acetonitrile 66.9
    DMF 348.83
    toluene 3.82
    isobutanol 142.68
    1,4-dioxane 78.86
    methyl acetate 37.84
    THF 138.77
    2-butanone 46.05
    n-pentanol 91.63
    sec-butanol 146.61
    n-hexane 8.46
    ethylene glycol 377.76
    NMP 221.41
    cyclohexane 6.99
    DMSO 254.54
    n-butyl acetate 18.97
    n-octanol 40.59
    chloroform 29.36
    n-propyl acetate 20.76
    acetic acid 482.21
    dichloromethane 27.68
    cyclohexanone 67.58
    propylene glycol 334.56
    isopropyl acetate 17.89
    DMAc 195.99
    2-ethoxyethanol 160.63
    isopentanol 124.4
    n-heptane 7.21
    ethyl formate 68.29
    1,2-dichloroethane 18.47
    n-hexanol 69.95
    2-methoxyethanol 363.46
    isobutyl acetate 12.61
    tetrachloromethane 16.77
    n-pentyl acetate 23.51
    transcutol 176.31
    n-heptanol 52.43
    ethylbenzene 3.51
    MIBK 24.64
    2-propoxyethanol 120.27
    tert-butanol 186.99
    MTBE 36.41
    2-butoxyethanol 104.32
    propionic acid 226.03
    o-xylene 5.97
    formic acid 750.94
    diethyl ether 27.29
    m-xylene 4.69
    p-xylene 5.79
    chlorobenzene 7.42
    dimethyl carbonate 19.67
    n-octane 3.34
    formamide 499.48
    cyclopentanone 114.94
    2-pentanone 37.18
    anisole 13.02
    cyclopentyl methyl ether 42.43
    gamma-butyrolactone 128.46
    1-methoxy-2-propanol 204.88
    pyridine 34.44
    3-pentanone 22.51
    furfural 120.59
    n-dodecane 2.36
    diethylene glycol 177.96
    diisopropyl ether 9.33
    tert-amyl alcohol 137.56
    acetylacetone 36.88
    n-hexadecane 2.36
    acetophenone 17.33
    methyl propionate 30.63
    isopentyl acetate 16.65
    trichloroethylene 28.43
    n-nonanol 33.08
    cyclohexanol 89.61
    benzyl alcohol 32.33
    2-ethylhexanol 30.36
    isooctanol 38.3
    dipropyl ether 18.77
    1,2-dichlorobenzene 7.8
    ethyl lactate 31.77
    propylene carbonate 60.15
    n-methylformamide 282.95
    2-pentanol 86.35
    n-pentane 8.94
    1-propoxy-2-propanol 76.34
    1-methoxy-2-propyl acetate 21.14
    2-(2-methoxypropoxy) propanol 60.55
    mesitylene 4.61
    ε-caprolactone 64.6
    p-cymene 5.38
    epichlorohydrin 69.72
    1,1,1-trichloroethane 14.38
    2-aminoethanol 461.0
    morpholine-4-carbaldehyde 172.57
    sulfolane 160.3
    2,2,4-trimethylpentane 5.37
    2-methyltetrahydrofuran 77.37
    n-hexyl acetate 29.29
    isooctane 3.49
    2-(2-butoxyethoxy)ethanol 94.91
    sec-butyl acetate 11.85
    tert-butyl acetate 21.18
    decalin 3.33
    glycerin 467.66
    diglyme 126.97
    acrylic acid 235.69
    isopropyl myristate 10.68
    n-butyric acid 186.87
    acetyl acetate 19.89
    di(2-ethylhexyl) phthalate 19.48
    ethyl propionate 16.26
    nitromethane 244.45
    1,2-diethoxyethane 27.21
    benzonitrile 20.43
    trioctyl phosphate 16.73
    1-bromopropane 11.74
    gamma-valerolactone 138.16
    n-decanol 23.16
    triethyl phosphate 12.15
    4-methyl-2-pentanol 43.12
    propionitrile 46.63
    vinylene carbonate 55.09
    1,1,2-trichlorotrifluoroethane 143.67
    DMS 15.93
    cumene 4.55
    2-octanol 28.96
    2-hexanone 25.09
    octyl acetate 17.12
    limonene 9.16
    1,2-dimethoxyethane 113.52
    ethyl orthosilicate 12.48
    tributyl phosphate 16.18
    diacetone alcohol 66.87
    N,N-dimethylaniline 14.92
    acrylonitrile 64.67
    aniline 28.56
    1,3-propanediol 404.96
    bromobenzene 4.26
    dibromomethane 18.0
    1,1,2,2-tetrachloroethane 28.09
    2-methyl-cyclohexyl acetate 16.36
    tetrabutyl urea 23.49
    diisobutyl methanol 16.95
    2-phenylethanol 24.58
    styrene 4.17
    dioctyl adipate 18.9
    dimethyl sulfate 37.81
    ethyl butyrate 17.08
    methyl lactate 69.99
    butyl lactate 38.15
    diethyl carbonate 10.86
    propanediol butyl ether 119.58
    triethyl orthoformate 15.81
    p-tert-butyltoluene 5.81
    methyl 4-tert-butylbenzoate 32.0
    morpholine 130.35
    tert-butylamine 93.48
    n-dodecanol 16.61
    dimethoxymethane 78.31
    ethylene carbonate 44.43
    cyrene 61.59
    2-ethoxyethyl acetate 25.26
    2-ethylhexyl acetate 12.29
    1,2,4-trichlorobenzene 9.47
    4-methylpyridine 28.43
    dibutyl ether 16.67
    2,6-dimethyl-4-heptanol 16.95
    DEF 66.9
    dimethyl isosorbide 59.78
    tetrachloroethylene 32.35
    eugenol 42.26
    triacetin 28.46
    span 80 69.76
    1,4-butanediol 177.04
    1,1-dichloroethane 15.24
    2-methyl-1-pentanol 69.33
    methyl formate 145.94
    2-methyl-1-butanol 120.58
    n-decane 3.75
    butyronitrile 54.77
    3,7-dimethyl-1-octanol 28.53
    1-chlorooctane 8.72
    1-chlorotetradecane 4.09
    n-nonane 3.79
    undecane 2.82
    tert-butylcyclohexane 3.78
    cyclooctane 3.09
    cyclopentanol 152.15
    tetrahydropyran 54.0
    tert-amyl methyl ether 30.99
    2,5,8-trioxanonane 94.4
    1-hexene 14.11
    2-isopropoxyethanol 85.7
    2,2,2-trifluoroethanol 232.73
    methyl butyrate 31.04

    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